Kpvslsyrcpcrffesh

Structural Information

Molecular Formula

C₉₂H₁₃₈N₂₆O₂₄S₂

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC5=CN=CN5)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCCN)N

InChI

InChI=1S/C92H138N26O24S2/c1-49(2)37-60(106-82(133)67(45-121)113-87(138)73(50(3)4)116-86(137)71-25-15-35-117(71)88(139)56(94)21-11-12-32-93)77(128)112-65(43-119)81(132)109-63(40-53-26-28-55(122)29-27-53)78(129)103-58(23-14-34-101-92(97)98)75(126)115-69(47-144)89(140)118-36-16-24-70(118)85(136)114-68(46-143)84(135)104-57(22-13-33-100-91(95)96)74(125)107-62(39-52-19-9-6-10-20-52)80(131)108-61(38-51-17-7-5-8-18-51)79(130)105-59(30-31-72(123)124)76(127)111-66(44-120)83(134)110-64(90(141)142)41-54-42-99-48-102-54/h5-10,17-20,26-29,42,48-50,56-71,73,119-122,143-144H,11-16,21-25,30-41,43-47,93-94H2,1-4H3,(H,99,102)(H,103,129)(H,104,135)(H,105,130)(H,106,133)(H,107,125)(H,108,131)(H,109,132)(H,110,134)(H,111,127)(H,112,128)(H,113,138)(H,114,136)(H,115,126)(H,116,137)(H,123,124)(H,141,142)(H4,95,96,100)(H4,97,98,101)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,73-/m0/s1

InChIKey

UQMATGKUTLWKOZ-DMVRXRCYSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2R)-2-[[(2S)-1-[(2R)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16133599