aminocarbonyl 2-[3-oxidanylidene-4-phenethyl-1-phenyl-2-[(Z)-N'-phenylmethoxycarbonylcarbamimidoyl]-5H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: aminocarbonyl 2-[3-oxidanylidene-4-phenethyl-1-phenyl-2-[(Z)-N'-phenylmethoxycarbonylcarbamimidoyl]-5H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: carbamoyl 2-[2-[(Z)-N'-benzyloxycarbonylcarbamimidoyl]-3-oxo-4-phenethyl-1-phenyl-5H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[2-[(Z)-amino(phenylmethoxycarbonylimino)methyl]-3-oxo-4-phenethyl-1-phenyl-5H-1,4-benzodiazepin-2-yl]acetic acid carbamoyl ester IUPAC Name: carbamoyl 2-[3-oxo-4-phenethyl-1-phenyl-2-[(Z)-N'-phenylmethoxycarbonylcarbamimidoyl]-5H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[2-[(Z)-N'-carbobenzoxyamidino]-3-keto-4-phenethyl-1-phenyl-5H-1,4-benzodiazepin-2-yl]acetic acid carbamoyl ester Formula: C35H33N5O6 MolecularWeight: 619.66642

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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)C(=NC(=O)OCC4=CC=CC=C4)N)C5=CC=CC=C5

Isomeric SMILES

C1C2=CC=CC=C2N(C(C(=O)N1CCC3=CC=CC=C3)(CC(=O)OC(=O)N)/C(=N/C(=O)OCC4=CC=CC=C4)/N)C5=CC=CC=C5

InChI

InChI=1S/C35H33N5O6/c36-31(38-34(44)45-24-26-14-6-2-7-15-26)35(22-30(41)46-33(37)43)32(42)39(21-20-25-12-4-1-5-13-25)23-27-16-10-11-19-29(27)40(35)28-17-8-3-9-18-28/h1-19H,20-24H2,(H2,37,43)(H2,36,38,44)