(3S)-4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[methyl-(3-oxidanyl-3-oxidanylidene-propanoyl)amino]propanoyl]-methyl-amino]hexanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[methyl-(3-oxidanyl-3-oxidanylidene-propanoyl)amino]propanoyl]-methyl-amino]hexanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-3-[[(2S)-2-[[(2S)-2-[(3-hydroxy-3-oxo-propanoyl)-methyl-amino]-3-(1H-indol-3-yl)propanoyl]-methyl-amino]hexanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[(3-hydroxy-1,3-dioxopropyl)-methylamino]-3-(1H-indol-3-yl)-1-oxopropyl]-methylamino]-1-oxohexyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[(3-hydroxy-3-oxopropanoyl)-methylamino]-3-(1H-indol-3-yl)propanoyl]-methylamino]hexanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]-3-[[(2S)-2-[[(2S)-2-[(3-hydroxy-3-keto-propanoyl)-methyl-amino]-3-(1H-indol-3-yl)propanoyl]-methyl-amino]hexanoyl]amino]-4-keto-butyric acid Formula: C35H44N6O9 MolecularWeight: 692.75866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N)N(C)C(=O)C(CC2=CNC3=CC=CC=C32)N(C)C(=O)CC(=O)O

Isomeric SMILES

CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)N(C)C(=O)[C@H](CC2=CNC3=CC=CC=C32)N(C)C(=O)CC(=O)O

InChI

InChI=1S/C35H44N6O9/c1-4-5-15-27(34(49)39-26(18-30(43)44)33(48)38-25(32(36)47)16-21-11-7-6-8-12-21)41(3)35(50)28(40(2)29(42)19-31(45)46)17-22-20-37-24-14-10-9-13-23(22)24/h6-14,20,25-28,37H,4-5,15-19H2,1-3H3,(H2,36,47)(H,38,48)(H,39,49)(H,43,44)(H,45,46)/t25-,26-,27-,28-/m0/s1