L-e1p47

Structural Information

Molecular Formula

C₁₂₂H₁₆₇N₂₅O₂₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](CC9=CNC1=CC=CC=C19)N

InChI

InChI=1S/C122H167N25O24/c1-13-70(11)103(145-105(154)82(124)58-75-62-128-83-38-24-21-35-79(75)83)119(168)142-90(54-67(5)6)109(158)134-88(48-49-99(150)151)107(156)136-92(57-74-44-46-78(148)47-45-74)111(160)135-89(53-66(3)4)110(159)138-95(60-77-64-130-85-40-26-23-37-81(77)85)115(164)133-87(41-27-28-50-123)108(157)144-102(69(9)10)120(169)147-52-30-43-97(147)117(166)141-93(56-73-33-19-16-20-34-73)113(162)140-96(61-100(152)153)116(165)137-91(55-72-31-17-15-18-32-72)112(161)139-94(59-76-63-129-84-39-25-22-36-80(76)84)114(163)132-86(42-29-51-127-122(125)126)106(155)131-65-98(149)143-101(68(7)8)118(167)146-104(121(170)171)71(12)14-2/h15-26,31-40,44-47,62-64,66-71,82,86-97,101-104,128-130,148H,13-14,27-30,41-43,48-61,65,123-124H2,1-12H3,(H,131,155)(H,132,163)(H,133,164)(H,134,158)(H,135,160)(H,136,156)(H,137,165)(H,138,159)(H,139,161)(H,140,162)(H,141,166)(H,142,168)(H,143,149)(H,144,157)(H,145,154)(H,146,167)(H,150,151)(H,152,153)(H,170,171)(H4,125,126,127)/t70-,71-,82-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,101-,102-,103-,104-/m0/s1

InChIKey

IXTRVXZVZOWMAI-ZZUDEYCNSA-N

Compound name

(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 176457234