[(4-carbamimidoylphenyl)carbonylamino] 3-(3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)propanoate

Systemtic Name: [(4-carbamimidoylphenyl)carbonylamino] 3-(3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)propanoate Openeye Name: [(4-carbamimidoylbenzoyl)amino] 3-(3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)propanoate CAS Name: 3-(3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)propanoic acid [[(4-carbamimidoylphenyl)-oxomethyl]amino] ester IUPAC Name: [(4-carbamimidoylbenzoyl)amino] 3-(3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)propanoate Traditional Name: 3-(3-keto-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)propionic acid [(4-amidinobenzoyl)amino] ester Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(CC2=CC=CC=C2N1)CCC(=O)ONC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1C(=O)N(CC2=CC=CC=C2N1)CCC(=O)ONC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H21N5O4/c21-19(22)13-5-7-14(8-6-13)20(28)24-29-18(27)9-10-25-12-15-3-1-2-4-16(15)23-11-17(25)26/h1-8,23H,9-12H2,(H3,21,22)(H,24,28)