3-[[3-[[2-azanyl-3-(4-carbamimidoylphenyl)propanoyl]amino]phenyl]carbonylamino]-4-[(3-naphthalen-1-yl-1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[3-[[2-azanyl-3-(4-carbamimidoylphenyl)propanoyl]amino]phenyl]carbonylamino]-4-[(3-naphthalen-1-yl-1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[3-[[2-amino-3-(4-carbamimidoylphenyl)propanoyl]amino]benzoyl]amino]-4-[[2-hydroxy-1-(1-naphthylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[3-[[2-amino-3-(4-carbamimidoylphenyl)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]-4-[[1-hydroxy-3-(1-naphthalenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[3-[[2-amino-3-(4-carbamimidoylphenyl)propanoyl]amino]benzoyl]amino]-4-[(1-hydroxy-3-naphthalen-1-yl-1-oxopropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-[[3-[[3-(4-amidinophenyl)-2-amino-propanoyl]amino]benzoyl]amino]-4-[[2-hydroxy-2-keto-1-(1-naphthylmethyl)ethyl]amino]-4-keto-butyric acid Formula: C34H34N6O7 MolecularWeight: 638.66976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C3=CC(=CC=C3)NC(=O)C(CC4=CC=C(C=C4)C(=N)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C3=CC(=CC=C3)NC(=O)C(CC4=CC=C(C=C4)C(=N)N)N

InChI

InChI=1S/C34H34N6O7/c35-26(15-19-11-13-21(14-12-19)30(36)37)32(44)38-24-9-4-8-23(16-24)31(43)39-27(18-29(41)42)33(45)40-28(34(46)47)17-22-7-3-6-20-5-1-2-10-25(20)22/h1-14,16,26-28H,15,17-18,35H2,(H3,36,37)(H,38,44)(H,39,43)(H,40,45)(H,41,42)(H,46,47)