Nh2-ile-lys-lys-glu-lys-val-tyr-leu-ala-trp-val-pro-ala-his-lys-gly-ile-gly-gly-asn-cooh

Structural Information

Molecular Formula

C₁₀₄H₁₆₆N₂₈O₂₅

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N[C@@H](C)C(=O)N[C@@H](CC5=CN=CN5)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)O)N

InChI

InChI=1S/C104H166N28O25/c1-13-58(9)84(110)100(152)124-70(30-19-23-41-107)92(144)121-69(29-18-22-40-106)91(143)123-72(37-38-83(138)139)93(145)122-71(31-20-24-42-108)94(146)130-85(56(5)6)102(154)128-74(45-62-33-35-65(133)36-34-62)96(148)127-73(44-55(3)4)95(147)117-60(11)88(140)125-75(46-63-49-112-67-27-16-15-26-66(63)67)98(150)131-86(57(7)8)103(155)132-43-25-32-78(132)99(151)118-61(12)89(141)126-76(47-64-50-111-54-116-64)97(149)120-68(28-17-21-39-105)90(142)114-53-82(137)129-87(59(10)14-2)101(153)115-51-80(135)113-52-81(136)119-77(104(156)157)48-79(109)134/h15-16,26-27,33-36,49-50,54-61,68-78,84-87,112,133H,13-14,17-25,28-32,37-48,51-53,105-108,110H2,1-12H3,(H2,109,134)(H,111,116)(H,113,135)(H,114,142)(H,115,153)(H,117,147)(H,118,151)(H,119,136)(H,120,149)(H,121,144)(H,122,145)(H,123,143)(H,124,152)(H,125,140)(H,126,141)(H,127,148)(H,128,154)(H,129,137)(H,130,146)(H,131,150)(H,138,139)(H,156,157)/t58-,59-,60-,61-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,84-,85-,86-,87-/m0/s1

InChIKey

FIBOLRHRZQFYMM-CQJQNZLYSA-N

Compound name

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

Related CIDs

• CID 16133665