Vrlgryllrrlktpftrl

Structural Information

Molecular Formula

C₁₀₄H₁₈₀N₃₄O₂₂

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)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](CC3=CC=C(C=C3)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)N)O

InChI

InChI=1S/C104H180N34O22/c1-54(2)46-71(129-87(147)69(32-23-43-120-103(113)114)127-96(156)80(106)59(11)12)83(143)122-53-79(142)123-65(29-20-40-117-100(107)108)84(144)133-75(52-63-35-37-64(141)38-36-63)93(153)132-74(49-57(7)8)92(152)131-73(48-56(5)6)91(151)126-67(30-21-41-118-101(109)110)85(145)124-68(31-22-42-119-102(111)112)86(146)130-72(47-55(3)4)90(150)125-66(28-18-19-39-105)89(149)137-82(61(14)140)98(158)138-45-25-34-78(138)95(155)134-76(51-62-26-16-15-17-27-62)94(154)136-81(60(13)139)97(157)128-70(33-24-44-121-104(115)116)88(148)135-77(99(159)160)50-58(9)10/h15-17,26-27,35-38,54-61,65-78,80-82,139-141H,18-25,28-34,39-53,105-106H2,1-14H3,(H,122,143)(H,123,142)(H,124,145)(H,125,150)(H,126,151)(H,127,156)(H,128,157)(H,129,147)(H,130,146)(H,131,152)(H,132,153)(H,133,144)(H,134,155)(H,135,148)(H,136,154)(H,137,149)(H,159,160)(H4,107,108,117)(H4,109,110,118)(H4,111,112,119)(H4,113,114,120)(H4,115,116,121)/t60-,61-,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,80+,81+,82+/m1/s1

InChIKey

SUFBFNJUQBZMIM-GWPXSRIBSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 71596570