Cwvrllryllrrlktlft

Structural Information

Molecular Formula

C₁₁₁H₁₈₄N₃₂O₂₂S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)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](CC2=CC=C(C=C2)O)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](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CS)N)O

InChI

InChI=1S/C111H184N32O22S/c1-57(2)46-78(96(153)128-73(32-22-23-41-112)95(152)142-88(64(15)144)106(163)140-83(51-62(11)12)101(158)139-85(52-66-28-18-17-19-29-66)103(160)143-89(65(16)145)107(164)165)133-92(149)75(34-25-43-123-109(116)117)127-91(148)74(33-24-42-122-108(114)115)129-97(154)79(47-58(3)4)136-100(157)82(50-61(9)10)137-102(159)84(53-67-37-39-69(146)40-38-67)138-93(150)76(35-26-44-124-110(118)119)130-98(155)80(48-59(5)6)135-99(156)81(49-60(7)8)134-94(151)77(36-27-45-125-111(120)121)131-105(162)87(63(13)14)141-104(161)86(132-90(147)71(113)56-166)54-68-55-126-72-31-21-20-30-70(68)72/h17-21,28-31,37-40,55,57-65,71,73-89,126,144-146,166H,22-27,32-36,41-54,56,112-113H2,1-16H3,(H,127,148)(H,128,153)(H,129,154)(H,130,155)(H,131,162)(H,132,147)(H,133,149)(H,134,151)(H,135,156)(H,136,157)(H,137,159)(H,138,150)(H,139,158)(H,140,163)(H,141,161)(H,142,152)(H,143,160)(H,164,165)(H4,114,115,122)(H4,116,117,123)(H4,118,119,124)(H4,120,121,125)/t64-,65-,71+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+/m1/s1

InChIKey

HIBOVIIVUTUDLI-XOTINZBTSA-N

Compound name

(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]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]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoic acid

Related CIDs

• CID 71597842