(2R,2'R,4R,4'R)-N,N'-((S)-6-((S)-1-(2-(N-(2-((2S,4R)-2-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-ylcarbamoyl)-4-guanidinopyrrolidin-1-yl)-2-oxoethyl)-2-(2-amino-6-oxo-1H-purin-7(6H)-yl)acetamido)ethylamino)-1-oxo-6-(pyrazine-2-carboxamido)hexan-2-ylamino)-6-oxohexane-1,5-diyl)bis(4-amino-1-(2-(2-(2-amino-6-oxo-1H-purin-9(6H)-yl)-N-(2-(2-(2-(2-amino-6-oxo-1H-purin-9(6H)-yl)-N-(2-aminoethyl)acetamido)acetamido)ethyl)acetamido)acetyl)pyrrolidine-2-carboxamide)

ID: ALA4554679

PubChem CID: 155556286

Max Phase: Preclinical

Molecular Formula: C97H129N51O23

Molecular Weight: 2377.43

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  N=C(N)N[C@@H]1C[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)N(C(=O)CN(CCNC(=O)[C@H](CCCCNC(=O)c2cnccn2)NC(=O)[C@H](CCCCNC(=O)[C@H]2C[C@@H](N)CN2C(=O)CN(CCNC(=O)CN(CCN)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)NC(=O)[C@H]2C[C@@H](N)CN2C(=O)CN(CCNC(=O)CN(CCN)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2cnc3nc(N)[nH]c(=O)c32)C1

Standard InChI:  InChI=1S/C97H129N51O23/c98-11-20-136(63(153)36-142-43-117-70-77(142)127-94(106)131-87(70)167)33-60(150)112-17-22-138(65(155)38-144-45-119-72-79(144)129-96(108)133-89(72)169)40-67(157)146-30-49(100)26-57(146)84(164)115-14-4-2-6-54(124-85(165)58-27-50(101)31-147(58)68(158)41-139(66(156)39-145-46-120-73-80(145)130-97(109)134-90(73)170)23-18-113-61(151)34-137(21-12-99)64(154)37-143-44-118-71-78(143)128-95(107)132-88(71)168)83(163)123-53(5-1-3-13-114-82(162)56-29-110-15-16-111-56)81(161)116-19-24-140(62(152)35-141-47-121-76-74(141)91(171)135-93(105)126-76)42-69(159)148-32-51(122-92(103)104)28-59(148)86(166)125-55(75(102)160)25-48-7-9-52(149)10-8-48/h7-10,15-16,29,43-47,49-51,53-55,57-59,149H,1-6,11-14,17-28,30-42,98-101H2,(H2,102,160)(H,112,150)(H,113,151)(H,114,162)(H,115,164)(H,116,161)(H,123,163)(H,124,165)(H,125,166)(H4,103,104,122)(H3,105,126,135,171)(H3,106,127,131,167)(H3,107,128,132,168)(H3,108,129,133,169)(H3,109,130,134,170)/t49-,50-,51-,53+,54+,55+,57-,58-,59+/m1/s1

Standard InChI Key:  LUTWLKYCIJLPGB-HFEVQIITSA-N

Molfile:  

 
     RDKit          2D

171185  0  0  0  0  0  0  0  0999 V2000
   15.2501  -11.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2460  -11.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5362  -12.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5321  -13.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8223  -13.5219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8182  -14.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1084  -14.7441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5238  -14.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5168  -15.5689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2216  -15.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9324  -15.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9339  -14.7545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2285  -14.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4138  -10.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5707   -9.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8601   -9.5846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2628  -10.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6050  -10.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8441   -8.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5437   -8.3452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2067  -11.5913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4161   -9.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8380  -10.6368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6550  -10.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0769  -11.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0502   -9.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6283   -9.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0235   -8.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6016   -7.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9968   -7.0758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5750   -6.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9701   -5.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7579   -6.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7808   -5.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9356   -4.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2202   -4.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6243   -4.9201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8071   -4.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4550   -4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4143   -5.6546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6757   -4.4111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8113   -9.2217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6817  -12.0366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8930  -11.3057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4985  -10.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4919   -9.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7810   -9.5296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4287   -8.7723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7197   -8.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7169   -7.5488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0133   -8.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -8.3701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1096   -7.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2948   -7.5187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6069   -8.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9868   -8.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2249   -8.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0767   -9.3484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6968   -9.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4651   -9.6024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5493  -10.6788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6028   -8.0192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1351   -8.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4314   -9.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7251  -10.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7278  -10.8176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0214  -11.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0241  -12.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3124  -10.8223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3178  -12.4566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6098  -12.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167  -11.2285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8986  -12.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1944  -12.0337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1133  -11.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3155  -11.0469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4426  -12.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9065  -11.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1132  -11.9089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8496  -12.6777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3856  -13.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1853  -13.1322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5754  -11.2936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1219  -14.0628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3182  -13.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6107  -13.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6111  -14.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6359   -4.1933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2207   -4.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4035   -4.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9883   -5.5933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2339   -3.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6491   -2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4168   -3.4741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2475   -2.0660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4935   -1.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8282   -0.8161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4307   -2.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1711   -1.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3728   -1.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8284   -1.7486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0879   -2.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8919   -2.6914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5455   -3.1369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1150   -0.3618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1711   -5.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7559   -6.2895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7692   -4.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9520   -4.8664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5501   -4.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5368   -5.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7197   -5.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3044   -6.2665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7329   -4.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9653   -3.4511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3313   -3.4353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5521   -2.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8737   -2.1961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5118   -3.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2299   -2.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4264   -2.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8989   -3.1847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1808   -3.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9902   -4.0979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1466   -1.7895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6560   -4.5813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1964   -9.5185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9073   -9.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6117   -9.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3227   -9.9102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0271   -9.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3292  -10.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7380   -9.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7445  -10.7161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6247  -11.1416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0401  -11.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0466  -11.9475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4694  -13.2031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.7157  -12.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6522  -13.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3961  -12.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6035  -12.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0614  -12.8799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3176  -13.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1158  -13.8185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3473  -11.4978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7330  -14.2266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4395   -9.4826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1534   -9.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7593   -9.3340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4199   -8.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6043   -8.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8232   -7.8758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.6403   -7.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0436   -7.1589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.0542   -8.5743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1491  -10.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4393  -11.1068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8547  -11.1142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.8504  -11.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5559  -12.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1405  -12.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1362  -13.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4243  -13.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4197  -14.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1257  -14.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8380  -14.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8391  -13.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1225  -15.6037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5516  -13.1609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2658  -11.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 15 14  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 14  1  0
 16 19  1  0
 19 20  2  0
 18 21  1  1
 15 22  1  1
 23 24  1  0
 24 25  1  0
 24 26  1  1
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 32 31  1  6
 31 33  2  0
 32 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 32  1  0
 37 38  1  0
 39 38  1  0
 38 40  2  0
 35 41  1  6
 23 22  1  0
 22 42  2  0
 25 43  2  0
 25 44  1  0
 45 44  1  6
 45 46  1  0
 46 47  2  0
 48 49  1  0
 49 50  2  0
 49 51  1  0
 51 52  1  0
 52 53  1  0
 53 54  2  0
 54 56  1  0
 55 52  1  0
 55 56  2  0
 55 60  1  0
 56 57  1  0
 57 58  1  0
 58 59  1  0
 59 60  2  0
 59 61  1  0
 57 62  2  0
 48 63  1  0
 63 19  1  0
 48 64  1  0
 64 65  1  0
 65 66  1  0
 66 67  1  0
 67 68  1  0
 67 69  2  0
 68 70  1  0
 71 72  2  0
 71 73  1  0
 73 74  1  0
 74 75  1  0
 75 76  2  0
 76 78  1  0
 77 74  1  0
 77 78  2  0
 77 82  1  0
 78 79  1  0
 79 80  1  0
 80 81  1  0
 81 82  2  0
 79 83  2  0
 81 84  1  0
 71 70  1  0
 70 85  1  0
 85 86  1  0
 86 87  1  0
 39 88  1  0
 88 89  1  0
 89 90  1  0
 90 91  1  0
 88 92  1  0
 92 93  1  0
 92 94  2  0
 93 95  1  0
 95 96  1  0
 96 97  2  0
 97 99  1  0
 98 95  1  0
 98 99  2  0
 98103  1  0
 99100  1  0
100101  1  0
101102  1  0
102103  2  0
102104  1  0
100105  2  0
 91106  1  0
106107  2  0
106108  1  0
108109  1  0
109110  1  0
109111  1  0
111112  1  0
112113  1  0
110114  1  0
110115  2  0
114116  1  0
116117  1  0
117118  2  0
118120  1  0
119116  1  0
119120  2  0
119124  1  0
120121  1  0
121122  1  0
122123  1  0
123124  2  0
121125  2  0
123126  1  0
 45  1  1  0
 46127  1  0
127128  1  0
128129  1  0
129130  1  0
130131  1  0
130132  1  0
131133  1  0
133148  1  0
133134  2  0
132135  2  0
132136  1  0
136137  1  0
137141  1  0
140138  1  0
138139  2  0
139137  1  0
140141  2  0
140145  1  0
141142  1  0
142143  1  0
143144  1  0
144145  2  0
142146  2  0
144147  1  0
148149  1  0
149150  1  0
150151  1  0
151152  1  0
152148  1  0
151153  1  6
153154  1  0
154155  2  0
154156  1  0
149157  1  1
157158  2  0
157159  1  0
159160  1  0
160161  1  0
160162  1  6
162163  1  0
163164  2  0
164165  1  0
165166  2  0
166167  1  0
167168  2  0
168163  1  0
166169  1  0
161170  2  0
161171  1  0
M  END

Alternative Forms

1. Parent:

   

   ALA4554679

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 2377.43

Molecular Weight (Monoisotopic): 2376.0492

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. Dai Y, Peralta AN, Wynn JE, Sherpa C, Li H, Verma A, Le Grice SFJ, Santos WL..  (2019)  Molecular recognition of a branched peptide with HIV-1 Rev Response Element (RRE) RNA.,  27  (8): [PMID:30879859] [10.1016/j.bmc.2019.03.016]

Source

Source(1):

• Scientific Literature