Akgsraiwfmwlgarfle

Structural Information

Molecular Formula

C₁₀₂H₁₅₁N₂₇O₂₂S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N

InChI

InChI=1S/C102H151N27O22S/c1-11-57(6)84(129-87(137)60(9)116-90(140)70(35-24-41-109-101(105)106)120-98(148)80(54-130)117-82(132)53-113-88(138)69(34-22-23-40-103)118-85(135)58(7)104)99(149)128-79(49-64-51-112-68-33-21-19-31-66(64)68)97(147)126-76(46-61-26-14-12-15-27-61)94(144)121-72(39-43-152-10)92(142)127-78(48-63-50-111-67-32-20-18-30-65(63)67)96(146)123-74(44-55(2)3)89(139)114-52-81(131)115-59(8)86(136)119-71(36-25-42-110-102(107)108)91(141)125-77(47-62-28-16-13-17-29-62)95(145)124-75(45-56(4)5)93(143)122-73(100(150)151)37-38-83(133)134/h12-21,26-33,50-51,55-60,69-80,84,111-112,130H,11,22-25,34-49,52-54,103-104H2,1-10H3,(H,113,138)(H,114,139)(H,115,131)(H,116,140)(H,117,132)(H,118,135)(H,119,136)(H,120,148)(H,121,144)(H,122,143)(H,123,146)(H,124,145)(H,125,141)(H,126,147)(H,127,142)(H,128,149)(H,129,137)(H,133,134)(H,150,151)(H4,105,106,109)(H4,107,108,110)/t57-,58-,59-,60-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,84-/m0/s1

InChIKey

IWMCYVAKOHJJHG-IGDJKNIVSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]pentanedioic acid

Related CIDs

• CID 71597430