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

Systemtic Name: [(4-carbamimidoylphenyl)-methyl-carbamoyl] 2-(3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate Openeye Name: [(4-carbamimidoylphenyl)-methyl-carbamoyl] 2-(3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate CAS Name: 2-(3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid [(4-carbamimidoyl-N-methylanilino)-oxomethyl] ester IUPAC Name: [(4-carbamimidoylphenyl)-methylcarbamoyl] 2-(3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate Traditional Name: 2-(3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid [(4-amidinophenyl)-methyl-carbamoyl] ester Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=N)N)C(=O)OC(=O)CC2C(=O)N(CC3=CC=CC=C3N2)CCC4=CC=CC=C4

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=N)N)C(=O)OC(=O)CC2C(=O)N(CC3=CC=CC=C3N2)CCC4=CC=CC=C4

InChI

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