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

Systemtic Name: methyl 2-[7-[(3-carbamimidoylphenyl)carbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: methyl 2-[7-[(3-carbamimidoylphenyl)carbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[7-[(3-carbamimidoylanilino)-oxomethyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-[(3-carbamimidoylphenyl)carbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[7-[(3-amidinophenyl)carbamoyl]-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid methyl ester Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)N(CC2=C(N1)C=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=N)N)CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)CC1C(=O)N(CC2=C(N1)C=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=N)N)CCC4=CC=CC=C4

InChI

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