GRRYKKFRWKFKGRWFWFG

ID: ALA1688841

PubChem CID: 53323634

Max Phase: Preclinical

Molecular Formula: C132H182N38O21

Molecular Weight: 2637.15

Molecule Type: Protein

Names and Identifiers

Canonical SMILES:  N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O

Standard InChI:  InChI=1S/C132H182N38O21/c133-57-23-19-45-94(113(176)153-77-111(173)156-96(50-28-62-147-130(140)141)116(179)168-108(71-85-75-151-92-43-17-14-40-89(85)92)128(191)167-105(68-82-37-11-4-12-38-82)125(188)170-109(72-86-76-152-93-44-18-15-41-90(86)93)127(190)163-102(114(177)154-78-112(174)175)65-79-31-5-1-6-32-79)157-122(185)103(66-80-33-7-2-8-34-80)164-119(182)99(48-22-26-60-136)161-126(189)107(70-84-74-150-91-42-16-13-39-88(84)91)169-121(184)101(52-30-64-149-132(144)145)162-123(186)104(67-81-35-9-3-10-36-81)165-118(181)98(47-21-25-59-135)158-117(180)97(46-20-24-58-134)160-124(187)106(69-83-53-55-87(171)56-54-83)166-120(183)100(51-29-63-148-131(142)143)159-115(178)95(155-110(172)73-137)49-27-61-146-129(138)139/h1-18,31-44,53-56,74-76,94-109,150-152,171H,19-30,45-52,57-73,77-78,133-137H2,(H,153,176)(H,154,177)(H,155,172)(H,156,173)(H,157,185)(H,158,180)(H,159,178)(H,160,187)(H,161,189)(H,162,186)(H,163,190)(H,164,182)(H,165,181)(H,166,183)(H,167,191)(H,168,179)(H,169,184)(H,170,188)(H,174,175)(H4,138,139,146)(H4,140,141,147)(H4,142,143,148)(H4,144,145,149)/t94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-/m0/s1

Standard InChI Key:  KWJHCGYPOCVRFF-XLHCBLHFSA-N

Molfile:  

     RDKit          2D

191201  0  0  0  0  0  0  0  0999 V2000
   -4.0726  -14.5611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3556  -14.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6398  -15.3857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6398  -14.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2184  -17.0339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2184  -17.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4921  -18.2689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9359  -18.2705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9238  -14.1437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2122  -14.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4951  -13.3168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4951  -14.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2122  -15.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4949  -15.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4949  -16.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625  -11.6654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625  -10.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6449  -10.4255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0730  -10.4272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2156  -14.5590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9330  -14.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6478  -15.3808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6478  -14.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9330  -13.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6477  -12.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6477  -12.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3653  -14.1401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0758  -14.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933  -13.3119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933  -14.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0758  -15.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7952  -16.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933  -15.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5057  -15.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224  -15.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2236  -16.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5076  -17.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9396  -17.0261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5038  -14.5543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2214  -14.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9361  -15.3759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9361  -14.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2214  -13.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9361  -12.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9361  -12.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6466  -11.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6466  -10.8340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6494  -14.1352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3683  -14.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0817  -13.3070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0817  -14.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3683  -15.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0817  -15.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0817  -16.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7992  -17.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7992  -17.8474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7964  -14.5494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5097  -14.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2244  -15.3710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2244  -14.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5097  -13.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2225  -12.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2244  -12.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9358  -13.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6515  -12.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6506  -12.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9341  -11.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0875  -17.0192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0875  -17.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3770  -18.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8050  -18.2516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9377  -14.1303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6525  -14.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3742  -13.3021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3742  -14.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6525  -15.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3742  -15.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3742  -16.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0847  -14.5403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8022  -14.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5128  -15.3620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5128  -14.5387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8022  -13.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2681  -13.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5128  -12.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8150  -12.6085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5976  -12.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4059  -11.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6618  -11.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1051  -10.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2968  -10.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0451  -11.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2303  -14.1254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9408  -14.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6583  -13.2972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6583  -14.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9408  -15.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6583  -15.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6583  -16.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3717  -17.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3717  -17.8376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3689  -14.5355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0905  -14.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8010  -15.3571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8010  -14.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0905  -13.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7992  -12.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8010  -12.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5167  -13.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2282  -12.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2273  -12.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5148  -11.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5185  -14.1205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.2291  -14.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9466  -13.2923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9466  -14.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2291  -15.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9466  -15.7687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9466  -16.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6641  -17.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6641  -17.8327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.6613  -14.5306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.3747  -14.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0936  -15.3522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0936  -14.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9525  -17.0004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.9525  -17.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2377  -18.2353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.6659  -18.2370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.8069  -14.1156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5216  -14.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2349  -13.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2349  -14.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5216  -15.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2349  -15.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2349  -16.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9497  -14.5257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.6630  -14.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3777  -15.3473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.3777  -14.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6630  -13.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1289  -13.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3777  -12.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6842  -12.5896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.4625  -12.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2709  -11.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5226  -11.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9743  -10.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1659  -10.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9101  -11.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0952  -14.1066    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.8100  -14.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5275  -13.2784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.5275  -14.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8100  -15.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5293  -16.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5275  -15.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2399  -15.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9564  -15.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9574  -16.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2417  -16.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2380  -14.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.9555  -14.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6661  -15.3424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.6661  -14.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9555  -13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4214  -13.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6661  -12.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9725  -12.5848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7509  -12.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5592  -11.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8150  -11.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2584  -10.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4501  -10.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1984  -11.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3836  -14.1017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.0941  -14.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8157  -13.2735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.8157  -14.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0941  -15.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8176  -16.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8157  -15.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5282  -15.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2448  -15.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2457  -16.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5343  -16.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5264  -14.5159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.2439  -14.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9544  -15.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.9544  -14.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6719  -14.0968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  9  1  0
 12 20  1  0
 23 27  1  0
 30 39  1  0
 42 48  1  0
 51 57  1  0
 60 72  1  0
 75 79  1  0
 82 93  1  0
 96102  1  0
105113  1  0
116122  1  0
125130  1  0
133137  1  0
140151  1  0
154162  1  0
165176  1  0
179187  1  0
190191  1  0
  1  2  1  0
  2  4  1  0
  4  3  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  9 10  1  0
 10 12  1  0
 12 11  2  0
 10 13  1  6
 13 14  1  0
 14 15  1  0
 15  5  1  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 20 21  1  0
 21 23  1  0
 23 22  2  0
 21 24  1  1
 24 25  1  0
 25 26  1  0
 26 16  1  0
 27 28  1  0
 28 30  1  0
 30 29  2  0
 28 31  1  6
 31 33  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 32  1  0
 36 38  1  0
 39 40  1  0
 40 42  1  0
 42 41  2  0
 40 43  1  1
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 48 49  1  0
 49 51  1  0
 51 50  2  0
 49 52  1  6
 52 53  1  0
 53 54  1  0
 54 55  1  0
 55 56  1  0
 57 58  1  0
 58 60  1  0
 60 59  2  0
 58 61  1  1
 61 63  1  0
 62 63  2  0
 63 64  1  0
 64 65  2  0
 65 66  1  0
 66 67  2  0
 67 62  1  0
 68 69  1  0
 69 70  1  0
 69 71  2  0
 72 73  1  0
 73 75  1  0
 75 74  2  0
 73 76  1  6
 76 77  1  0
 77 78  1  0
 78 68  1  0
 79 80  1  0
 80 82  1  0
 82 81  2  0
 80 83  1  1
 83 85  1  0
 84 85  2  0
 85 87  1  0
 86 84  1  0
 88 86  1  0
 87 88  2  0
 88 89  1  0
 89 90  2  0
 90 91  1  0
 91 92  2  0
 92 87  1  0
 93 94  1  0
 94 96  1  0
 96 95  2  0
 94 97  1  6
 97 98  1  0
 98 99  1  0
 99100  1  0
100101  1  0
102103  1  0
103105  1  0
105104  2  0
103106  1  1
106108  1  0
107108  2  0
108109  1  0
109110  2  0
110111  1  0
111112  2  0
112107  1  0
113114  1  0
114116  1  0
116115  2  0
114117  1  6
117118  1  0
118119  1  0
119120  1  0
120121  1  0
122123  1  0
123125  1  0
125124  2  0
126127  1  0
127128  1  0
127129  2  0
130131  1  0
131133  1  0
133132  2  0
131134  1  6
134135  1  0
135136  1  0
136126  1  0
137138  1  0
138140  1  0
140139  2  0
138141  1  1
141143  1  0
142143  2  0
143145  1  0
144142  1  0
146144  1  0
145146  2  0
146147  1  0
147148  2  0
148149  1  0
149150  2  0
150145  1  0
151152  1  0
152154  1  0
154153  2  0
152155  1  6
155157  1  0
156157  2  0
157158  1  0
158159  2  0
159160  1  0
160161  2  0
161156  1  0
162163  1  0
163165  1  0
165164  2  0
163166  1  1
166168  1  0
167168  2  0
168170  1  0
169167  1  0
171169  1  0
170171  2  0
171172  1  0
172173  2  0
173174  1  0
174175  2  0
175170  1  0
176177  1  0
177179  1  0
179178  2  0
177180  1  6
180182  1  0
181182  2  0
182183  1  0
183184  2  0
184185  1  0
185186  2  0
186181  1  0
187188  1  0
188190  1  0
190189  2  0
M  END

Alternative Forms

1. Parent:

   

   ALA1688841

   Grrykkfrwkfkgrwfwfg

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Protein

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 2637.15

Molecular Weight (Monoisotopic): 2635.4342

AlogP: ┄

#Rotatable Bonds: ┄

Polar Surface Area: ┄

Molecular Species: ┄

HBA: ┄

HBD: ┄

#RO5 Violations: ┄

HBA (Lipinski): ┄

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: ┄

CX LogP: ┄

CX LogD: ┄

Aromatic Rings: ┄

Heavy Atoms: ┄

QED Weighted: ┄

Np Likeness Score: ┄

References

1. Gutsmann T, Razquin-Olazarán I, Kowalski I, Kaconis Y, Howe J, Bartels R, Hornef M, Schürholz T, Rössle M, Sanchez-Gómez S, Moriyon I, Martinez de Tejada G, Brandenburg K..  (2010)  New antiseptic peptides to protect against endotoxin-mediated shock.,  54  (9): [PMID:20606063] [10.1128/aac.00534-10]

Source

Source(1):

• Scientific Literature