Cwvrlgrellrrlktpft

Structural Information

Molecular Formula

C₁₀₂H₁₇₀N₃₂O₂₃S

SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C(CS)N)O

InChI

InChI=1S/C102H170N32O23S/c1-52(2)43-70(126-87(145)68(33-23-41-116-102(111)112)124-96(154)79(56(9)10)131-94(152)75(125-82(140)62(104)51-158)48-60-49-117-63-28-17-16-27-61(60)63)83(141)118-50-77(137)119-64(30-20-38-113-99(105)106)84(142)123-69(35-36-78(138)139)88(146)128-73(46-55(7)8)92(150)129-72(45-54(5)6)91(149)122-66(31-21-39-114-100(107)108)85(143)120-67(32-22-40-115-101(109)110)86(144)127-71(44-53(3)4)90(148)121-65(29-18-19-37-103)89(147)132-80(57(11)135)97(155)134-42-24-34-76(134)95(153)130-74(47-59-25-14-13-15-26-59)93(151)133-81(58(12)136)98(156)157/h13-17,25-28,49,52-58,62,64-76,79-81,117,135-136,158H,18-24,29-48,50-51,103-104H2,1-12H3,(H,118,141)(H,119,137)(H,120,143)(H,121,148)(H,122,149)(H,123,142)(H,124,154)(H,125,140)(H,126,145)(H,127,144)(H,128,146)(H,129,150)(H,130,153)(H,131,152)(H,132,147)(H,133,151)(H,138,139)(H,156,157)(H4,105,106,113)(H4,107,108,114)(H4,109,110,115)(H4,111,112,116)/t57-,58-,62?,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,79+,80+,81+/m1/s1

InChIKey

TZAMKWXRUZSMAE-UPPBMROQSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S,3R)-1-[(2S)-2-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-amino-3-sulfanylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71596942