[(4-carbamimidoylphenyl)carbonylamino] 2-(1-methyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)ethanoate

Systemtic Name: [(4-carbamimidoylphenyl)carbonylamino] 2-(1-methyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)ethanoate Openeye Name: [(4-carbamimidoylbenzoyl)amino] 2-(1-methyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)acetate CAS Name: 2-(1-methyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)acetic acid [[(4-carbamimidoylphenyl)-oxomethyl]amino] ester IUPAC Name: [(4-carbamimidoylbenzoyl)amino] 2-(1-methyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)acetate Traditional Name: 2-(3-keto-1-methyl-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)acetic acid [(4-amidinobenzoyl)amino] ester Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(=O)N(CC2=CC=CC=C21)CCC3=CC=CC=C3)CC(=O)ONC(=O)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C(C(=O)N(CC2=CC=CC=C21)CCC3=CC=CC=C3)CC(=O)ONC(=O)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H29N5O4/c1-32-23-10-6-5-9-22(23)18-33(16-15-19-7-3-2-4-8-19)28(36)24(32)17-25(34)37-31-27(35)21-13-11-20(12-14-21)26(29)30/h2-14,24H,15-18H2,1H3,(H3,29,30)(H,31,35)