Nh2-leu-gln-lys-trp-glu-asp-trp-val-gly-trp-ile-gly-asn-ile-pro-gln-tyr-leu-lys-gly-cooh

Structural Information

Molecular Formula

C₁₁₇H₁₆₈N₂₈O₂₉

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C117H168N28O29/c1-11-63(9)99(116(173)128-58-94(151)131-87(52-92(123)149)113(170)144-100(64(10)12-2)117(174)145-45-23-32-89(145)114(171)136-80(38-41-91(122)148)105(162)138-83(48-65-33-35-69(146)36-34-65)108(165)137-82(47-61(5)6)107(164)133-77(30-19-21-43-118)102(159)129-59-97(156)157)143-111(168)84(49-66-54-124-74-27-16-13-24-70(66)74)130-93(150)57-127-115(172)98(62(7)8)142-112(169)86(51-68-56-126-76-29-18-15-26-72(68)76)140-110(167)88(53-96(154)155)141-106(163)81(39-42-95(152)153)135-109(166)85(50-67-55-125-75-28-17-14-25-71(67)75)139-103(160)78(31-20-22-44-119)134-104(161)79(37-40-90(121)147)132-101(158)73(120)46-60(3)4/h13-18,24-29,33-36,54-56,60-64,73,77-89,98-100,124-126,146H,11-12,19-23,30-32,37-53,57-59,118-120H2,1-10H3,(H2,121,147)(H2,122,148)(H2,123,149)(H,127,172)(H,128,173)(H,129,159)(H,130,150)(H,131,151)(H,132,158)(H,133,164)(H,134,161)(H,135,166)(H,136,171)(H,137,165)(H,138,162)(H,139,160)(H,140,167)(H,141,163)(H,142,169)(H,143,168)(H,144,170)(H,152,153)(H,154,155)(H,156,157)/t63-,64-,73-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,98-,99-,100-/m0/s1

InChIKey

SMSHEESSGFNWNY-ALQYDUPVSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-4-amino-1-[[(2S,3S)-1-[(2S)-2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-(carboxymethylamino)-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16131745