Nh2-tyr-phe-val-gly-lys-met-tyr-phe-asn-leu-ile-asp-thr-lys-cys-tyr-lys-leu-glu-oh

Structural Information

Molecular Formula

C₁₁₃H₁₆₇N₂₃O₂₉S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=C(C=C5)O)N

InChI

InChI=1S/C113H167N23O29S2/c1-11-64(8)94(111(162)132-87(58-92(145)146)108(159)136-95(65(9)137)112(163)123-77(30-20-23-48-116)99(150)133-88(60-166)109(160)130-83(55-69-33-39-72(139)40-34-69)102(153)121-76(29-19-22-47-115)98(149)126-80(50-61(2)3)101(152)124-79(113(164)165)43-44-91(143)144)135-106(157)81(51-62(4)5)127-105(156)86(57-89(118)141)131-104(155)82(53-66-24-14-12-15-25-66)129-103(154)84(56-70-35-41-73(140)42-36-70)128-100(151)78(45-49-167-10)122-97(148)75(28-18-21-46-114)120-90(142)59-119-110(161)93(63(6)7)134-107(158)85(54-67-26-16-13-17-27-67)125-96(147)74(117)52-68-31-37-71(138)38-32-68/h12-17,24-27,31-42,61-65,74-88,93-95,137-140,166H,11,18-23,28-30,43-60,114-117H2,1-10H3,(H2,118,141)(H,119,161)(H,120,142)(H,121,153)(H,122,148)(H,123,163)(H,124,152)(H,125,147)(H,126,149)(H,127,156)(H,128,151)(H,129,154)(H,130,160)(H,131,155)(H,132,162)(H,133,150)(H,134,158)(H,135,157)(H,136,159)(H,143,144)(H,145,146)(H,164,165)/t64-,65+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,93-,94-,95-/m0/s1

InChIKey

IMLYXXHOYNSZDU-PETFDYQASA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]pentanedioic acid

Related CIDs

• CID 16130693