136058-51-0

Structural Information

Molecular Formula

C₉₇H₁₅₃N₃₁O₂₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1C=NC=N1)C(=O)C(C2CCCCC2)OC(=O)[C@H](CC(=O)O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C97H153N31O29/c1-10-46(3)74(127-89(151)64(35-53-21-14-12-15-22-53)122-88(150)66(40-72(138)139)121-79(141)48(5)114-86(148)63(124-90(152)73(100)51(8)130)36-54-28-30-57(132)31-29-54)92(154)116-49(6)80(142)125-67(44-129)82(144)111-42-69(134)118-60(26-19-33-109-96(103)104)85(147)128-76(52(9)131)91(153)112-43-70(135)117-59(25-18-32-108-95(101)102)83(145)119-61(27-20-34-110-97(105)106)84(146)123-65(39-68(99)133)87(149)115-50(7)81(143)126-75(47(4)11-2)93(155)120-62(37-56-41-107-45-113-56)77(140)78(55-23-16-13-17-24-55)157-94(156)58(98)38-71(136)137/h12,14-15,21-22,28-31,41,45-52,55-56,58-67,73-76,78,129-132H,10-11,13,16-20,23-27,32-40,42-44,98,100H2,1-9H3,(H2,99,133)(H,111,144)(H,112,153)(H,114,148)(H,115,149)(H,116,154)(H,117,135)(H,118,134)(H,119,145)(H,120,155)(H,121,141)(H,122,150)(H,123,146)(H,124,152)(H,125,142)(H,126,143)(H,127,151)(H,128,147)(H,136,137)(H,138,139)(H4,101,102,108)(H4,103,104,109)(H4,105,106,110)/t46-,47-,48-,49-,50-,51+,52+,56?,58-,59+,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-,76-,78?/m0/s1

InChIKey

AKZKPAJMSKSYSH-FECDBLDFSA-N

Compound name

(3S)-3-amino-4-[(3S)-3-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-1-cyclohexyl-4-(4H-imidazol-4-yl)-2-oxobutoxy]-4-oxobutanoic acid

Related CIDs

• CID 16132236