FLGALFKVASKVLPSVKCAITKKC

ID: ALA442115

PubChem CID: 44414819

Max Phase: Preclinical

Molecular Formula: C119H203N29O28S2

Molecular Weight: 2552.24

Molecule Type: Protein

Names and Identifiers

Canonical SMILES:  CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O

Standard InChI:  InChI=1S/C119H203N29O28S2/c1-19-69(14)95(116(172)147-96(73(18)151)117(173)134-78(42-27-32-48-121)102(158)130-77(41-26-31-47-120)104(160)142-89(62-178)119(175)176)146-99(155)72(17)128-111(167)88(61-177)141-103(159)79(43-28-33-49-122)133-114(170)93(67(10)11)145-110(166)87(60-150)140-112(168)90-46-36-52-148(90)118(174)85(55-65(6)7)138-115(171)94(68(12)13)144-106(162)81(45-30-35-51-124)132-109(165)86(59-149)139-98(154)71(16)129-113(169)92(66(8)9)143-105(161)80(44-29-34-50-123)131-108(164)84(57-75-39-24-21-25-40-75)137-107(163)83(54-64(4)5)135-97(153)70(15)127-91(152)58-126-101(157)82(53-63(2)3)136-100(156)76(125)56-74-37-22-20-23-38-74/h20-25,37-40,63-73,76-90,92-96,149-151,177-178H,19,26-36,41-62,120-125H2,1-18H3,(H,126,157)(H,127,152)(H,128,167)(H,129,169)(H,130,158)(H,131,164)(H,132,165)(H,133,170)(H,134,173)(H,135,153)(H,136,156)(H,137,163)(H,138,171)(H,139,154)(H,140,168)(H,141,159)(H,142,160)(H,143,161)(H,144,162)(H,145,166)(H,146,155)(H,147,172)(H,175,176)/t69-,70-,71-,72-,73+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,92-,93-,94-,95-,96-/m0/s1

Standard InChI Key:  UNHCFOCTXISTEN-ZOIRHJITSA-N

Molfile:  

     RDKit          2D

178180  0  0  1  0  0  0  0  0999 V2000
    7.3953   13.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9701   13.2468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7004   12.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1239   12.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9075   11.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1635   12.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4834   11.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5265   10.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2577   10.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9507   10.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0451   11.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8250   10.3677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0856   10.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3196   11.9492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6253   11.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8946   11.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6572   10.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4224    9.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0094    9.4159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7343    9.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0843    7.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8610    6.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3662    8.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1247    6.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4717    5.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0569    5.5632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7896    5.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2130    5.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2512    4.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9884    4.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625    3.9943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1190    3.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8934    2.7105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1545    3.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3903    4.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0446    4.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6893    3.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7321    3.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0405    2.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6901    2.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7380    3.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5020    1.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0882    1.7642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8133    1.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375    1.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2729    0.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0143    0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0575   -0.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1513    0.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9258   -1.0866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1945   -0.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5816    0.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2783    0.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6126    1.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4504   -1.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659   -2.0334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2935   -2.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1386   -2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7933   -3.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0150   -4.8823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7560   -4.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5185   -3.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4088   -5.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8284   -5.8543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0945   -6.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6792   -6.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6350   -6.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9037   -7.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8615   -8.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7588   -7.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9712   -8.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7184   -8.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4784   -7.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1871   -7.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5200   -6.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3666   -9.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9311   -9.5512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6323  -10.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0671  -10.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7955   -9.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5004  -10.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8350   -8.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5968  -10.8170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458  -11.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1809  -10.1238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2112  -10.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9780  -12.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2391  -11.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8613  -12.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7970  -10.9678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1089  -12.2238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0970  -11.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794  -10.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3578  -11.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000  -10.2166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0783  -11.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3373  -12.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0445  -12.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6113  -12.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4835  -11.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1641  -12.3151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1847  -11.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5061  -10.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2244   -9.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2469   -9.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9723   -8.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6180  -11.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3603  -10.3209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3441  -11.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5946  -12.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3072  -12.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7682  -11.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4461  -12.4161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7874  -10.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4694  -11.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9038  -11.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6434  -10.4217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6284  -11.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8819  -12.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5903  -12.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1559  -12.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1382  -13.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3325  -11.6762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0572  -11.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7479  -12.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7642  -11.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0722  -10.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7998  -10.0674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3713  -10.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1982  -11.7658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9399  -10.5463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9244  -11.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1816  -12.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8857  -13.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8651  -13.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5734  -14.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3425  -11.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0308  -12.6521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0492  -11.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3609  -10.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0901  -10.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1041   -9.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8289   -8.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4873  -11.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2263  -10.6360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2120  -11.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4718  -12.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3492   14.1494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7222   12.0437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3902   10.2997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7560    8.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284    6.4588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8151    4.3699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4580    2.6511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7982   -0.9440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8519    0.5640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4996   -1.1508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0950   -3.2353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2158   -3.7504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4431   -4.9613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1213   -8.5687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0623   -7.0524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3971   -8.7963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5087  -11.3850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0382   -9.7689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417  -11.0306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7753  -11.4853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0038   -7.8126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163  -11.1094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0501  -11.5736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2006  -11.2140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4966  -11.3319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5546  -15.1148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6237  -11.8086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.8559   -8.1323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7788  -11.4371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -13.1129    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.9144  -11.8940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 11 13  1  0
 13 12  2  0
 11 14  1  6
 14 15  1  0
 15 16  1  0
 15 17  1  0
 18 20  1  0
 20 19  2  0
 21 24  1  0
 24 22  2  0
 21 23  1  6
 25 27  1  0
 27 26  2  0
 25 28  1  1
 28 29  1  0
 29 30  1  0
 29 31  1  0
 32 34  1  0
 34 33  2  0
 32 35  1  6
 35 37  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 36  1  0
 42 44  1  0
 44 43  2  0
 42 45  1  1
 45 46  1  0
 46 47  1  0
 47 48  1  0
 49 51  1  0
 51 50  2  0
 49 52  1  0
 52 53  1  0
 52 54  1  0
 55 58  1  0
 58 56  2  0
 55 57  1  1
 59 61  1  0
 61 60  2  0
 59 62  1  6
 63 65  1  0
 65 64  2  0
 63 66  1  1
 66 67  1  0
 67 68  1  0
 68 69  1  0
 70 72  1  0
 72 71  2  0
 70 73  1  0
 73 74  1  0
 73 75  1  0
 76 78  1  0
 78 77  2  0
 76 79  1  6
 79 80  1  0
 80 81  1  0
 80 82  1  0
 84 83  1  0
 84 86  1  6
 86 85  2  0
 84 87  1  0
 88 89  1  0
 89 87  1  0
 88 83  1  0
 90 92  1  0
 92 91  2  0
 90 93  1  1
 94 96  1  0
 96 95  2  0
 94 97  1  0
 97 98  1  0
 97 99  1  0
100102  1  0
102101  2  0
100103  1  1
103104  1  0
104105  1  0
105106  1  0
107109  1  0
109108  2  0
107110  1  6
110111  1  0
112115  1  0
115113  2  0
112114  1  1
116118  1  0
118117  2  0
116119  1  0
119120  1  1
119121  1  0
121122  1  0
124123  1  1
124126  1  0
126125  2  0
124127  1  0
127128  1  1
127129  1  0
130132  1  0
132131  2  0
130133  1  6
133134  1  0
134135  1  0
135136  1  0
137139  1  0
139138  2  0
137140  1  1
140141  1  0
141142  1  0
142143  1  0
144146  1  0
146145  2  0
144147  1  6
 78 83  1  0
118123  1  0
  1  3  1  0
  3  2  2  0
  1  4  1  0
  4  6  1  0
163 76  1  0
 72163  1  0
 48155  1  0
164 90  1  0
 86164  1  0
151 21  1  0
 20151  1  0
 93165  1  0
 49156  1  6
 44156  1  0
 94166  1  6
 92166  1  0
149 11  1  0
  3149  1  0
167100  1  0
 96167  1  0
157 55  1  0
 51157  1  0
106168  1  0
152 25  1  0
 24152  1  0
169107  1  0
102169  1  0
158 59  1  0
 58158  1  0
170112  1  0
109170  1  0
  1148  1  1
116171  1  6
115171  1  0
 62159  1  0
172130  1  0
126172  1  0
153 32  1  0
 27153  1  0
136173  1  0
160 63  1  0
 61160  1  0
174137  1  0
132174  1  0
150 18  1  0
 13150  1  0
143175  1  0
 69161  1  0
176144  1  0
139176  1  0
154 42  1  0
 34154  1  0
147177  1  0
 70162  1  6
 65162  1  0
146178  1  0
M  END

Alternative Forms

1. Parent:

   

   ALA442115

   H-Phe-Leu-Gly-Ala-Leu-Phe-Lys-Val-Ala-Ser-Lys-Val-Leu-Pro-Ser-Val-Lys-Cys-Ala-Ile-Thr-Lys-Lys-Cys-OH

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: 2552.24

Molecular Weight (Monoisotopic): 2550.4794

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. Won HS, Seo MD, Jung SJ, Lee SJ, Kang SJ, Son WS, Kim HJ, Park TK, Park SJ, Lee BJ..  (2006)  Structural determinants for the membrane interaction of novel bioactive undecapeptides derived from gaegurin 5.,  49  (16): [PMID:16884301] [10.1021/jm050996u]

Source

Source(1):

• Scientific Literature