2-[7-[(4-carbamimidoylphenyl)carbonyl-methyl-amino]-1-methyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[7-[(4-carbamimidoylphenyl)carbonyl-methyl-amino]-1-methyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[7-[(4-carbamimidoylbenzoyl)-methyl-amino]-1-methyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[7-[[(4-carbamimidoylphenyl)-oxomethyl]-methylamino]-1-methyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[7-[(4-carbamimidoylbenzoyl)-methylamino]-1-methyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[7-[(4-amidinobenzoyl)-methyl-amino]-3-keto-1-methyl-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate Formula: C29H30N5O4- MolecularWeight: 512.5796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(=O)N(CC2=C1C=CC(=C2)N(C)C(=O)C3=CC=C(C=C3)C(=N)N)CCC4=CC=CC=C4)CC(=O)[O-]

Isomeric SMILES

CN1C(C(=O)N(CC2=C1C=CC(=C2)N(C)C(=O)C3=CC=C(C=C3)C(=N)N)CCC4=CC=CC=C4)CC(=O)[O-]

InChI

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