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

Systemtic Name: [(4-carbamimidoylphenyl)-methyl-carbamoyl] 2-(1-methyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)ethanoate Openeye Name: [(4-carbamimidoylphenyl)-methyl-carbamoyl] 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-carbamimidoyl-N-methylanilino)-oxomethyl] ester IUPAC Name: [(4-carbamimidoylphenyl)-methylcarbamoyl] 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-amidinophenyl)-methyl-carbamoyl] ester Formula: C29H31N5O4 MolecularWeight: 513.58754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N5O4/c1-32(23-14-12-21(13-15-23)27(30)31)29(37)38-26(35)18-25-28(36)34(17-16-20-8-4-3-5-9-20)19-22-10-6-7-11-24(22)33(25)2/h3-15,25H,16-19H2,1-2H3,(H3,30,31)