methyl 2-[7-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanylidene-4-phenethyl-5H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: methyl 2-[7-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanylidene-4-phenethyl-5H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: methyl 2-[7-[(4-carbamimidoylbenzoyl)amino]-3-oxo-4-phenethyl-5H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-oxo-4-phenethyl-5H-1,4-benzodiazepin-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-[(4-carbamimidoylbenzoyl)amino]-3-oxo-4-phenethyl-5H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[7-[(4-amidinobenzoyl)amino]-3-keto-4-phenethyl-5H-1,4-benzodiazepin-2-yl]acetic acid methyl ester Formula: C28H27N5O4 MolecularWeight: 497.54508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NC2=C(CN(C1=O)CCC3=CC=CC=C3)C=C(C=C2)NC(=O)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)CC1=NC2=C(CN(C1=O)CCC3=CC=CC=C3)C=C(C=C2)NC(=O)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H27N5O4/c1-37-25(34)16-24-28(36)33(14-13-18-5-3-2-4-6-18)17-21-15-22(11-12-23(21)32-24)31-27(35)20-9-7-19(8-10-20)26(29)30/h2-12,15H,13-14,16-17H2,1H3,(H3,29,30)(H,31,35)