Nh2-arg-phe-tyr-pro-his-ile-his-ile-his-his-val-gly-val-lys-ser-asp-ile-glu-val-tyr-cooh

Structural Information

Molecular Formula

C₁₁₅H₁₆₈N₃₂O₂₈

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C115H168N32O28/c1-13-62(10)93(110(170)131-76(36-37-88(152)153)98(158)143-92(61(8)9)109(169)139-84(114(174)175)43-67-30-34-73(150)35-31-67)146-104(164)82(48-89(154)155)134-105(165)85(54-148)140-97(157)75(26-19-20-38-116)130-108(168)91(60(6)7)141-87(151)53-125-107(167)90(59(4)5)142-101(161)79(45-69-50-121-56-127-69)133-100(160)78(44-68-49-120-55-126-68)136-111(171)94(63(11)14-2)145-103(163)81(47-71-52-123-58-129-71)137-112(172)95(64(12)15-3)144-102(162)80(46-70-51-122-57-128-70)135-106(166)86-27-22-40-147(86)113(173)83(42-66-28-32-72(149)33-29-66)138-99(159)77(41-65-23-17-16-18-24-65)132-96(156)74(117)25-21-39-124-115(118)119/h16-18,23-24,28-35,49-52,55-64,74-86,90-95,148-150H,13-15,19-22,25-27,36-48,53-54,116-117H2,1-12H3,(H,120,126)(H,121,127)(H,122,128)(H,123,129)(H,125,167)(H,130,168)(H,131,170)(H,132,156)(H,133,160)(H,134,165)(H,135,166)(H,136,171)(H,137,172)(H,138,159)(H,139,169)(H,140,157)(H,141,151)(H,142,161)(H,143,158)(H,144,162)(H,145,163)(H,146,164)(H,152,153)(H,154,155)(H,174,175)(H4,118,119,124)/t62-,63-,64-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,90-,91-,92-,93-,94-,95-/m0/s1

InChIKey

CECZNWIFSREXSC-MPHAKSJASA-N

Compound name

(4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16197771