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

Systemtic Name: aminocarbonyl 2-[1-(4-carbamimidoylphenyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: carbamoyl 2-[1-(4-carbamimidoylphenyl)-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[1-(4-carbamimidoylphenyl)-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid carbamoyl ester IUPAC Name: carbamoyl 2-[1-(4-carbamimidoylphenyl)-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[1-(4-amidinophenyl)-3-keto-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid carbamoyl ester Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N(C(C(=O)N1CCC3=CC=CC=C3)CC(=O)OC(=O)N)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1C2=CC=CC=C2N(C(C(=O)N1CCC3=CC=CC=C3)CC(=O)OC(=O)N)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H27N5O4/c28-25(29)19-10-12-21(13-11-19)32-22-9-5-4-8-20(22)17-31(15-14-18-6-2-1-3-7-18)26(34)23(32)16-24(33)36-27(30)35/h1-13,23H,14-17H2,(H3,28,29)(H2,30,35)