K-e-t-w-e-t-w-w-d-n-y-w-q-v-t-w

Structural Information

Molecular Formula

C₁₁₂H₁₄₁N₂₅O₂₈S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC8=CNC9=CC=CC=C98)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCCS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)N)O

InChI

InChI=1S/C112H141N25O28S/c1-55(2)93(109(162)137-96(58(5)140)112(165)131-81(98(151)117-40-41-166)43-60-50-118-72-24-11-6-18-66(60)72)134-99(152)77(33-36-88(115)142)124-103(156)82(44-61-51-119-73-25-12-7-19-67(61)73)127-102(155)80(42-59-29-31-65(141)32-30-59)126-107(160)86(48-89(116)143)129-108(161)87(49-92(148)149)130-105(158)83(45-62-52-120-74-26-13-8-20-68(62)74)128-106(159)85(47-64-54-122-76-28-15-10-22-70(64)76)133-111(164)95(57(4)139)136-101(154)79(35-38-91(146)147)125-104(157)84(46-63-53-121-75-27-14-9-21-69(63)75)132-110(163)94(56(3)138)135-100(153)78(34-37-90(144)145)123-97(150)71(114)23-16-17-39-113/h6-15,18-22,24-32,50-58,71,77-87,93-96,118-122,138-141,166H,16-17,23,33-49,113-114H2,1-5H3,(H2,115,142)(H2,116,143)(H,117,151)(H,123,150)(H,124,156)(H,125,157)(H,126,160)(H,127,155)(H,128,159)(H,129,161)(H,130,158)(H,131,165)(H,132,163)(H,133,164)(H,134,152)(H,135,153)(H,136,154)(H,137,162)(H,144,145)(H,146,147)(H,148,149)/t56-,57-,58-,71+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,93+,94+,95+,96+/m1/s1

InChIKey

NLOFIFSSLAHWRL-PRLYYYCQSA-N

Compound name

(4S)-5-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130584