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

Systemtic Name: methylcarbamoyl 2-[3-oxidanylidene-4-phenethyl-1-phenyl-2-[(Z)-N'-phenylmethoxycarbonylcarbamimidoyl]-5H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: methylcarbamoyl 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 methylcarbamoyl ester IUPAC Name: methylcarbamoyl 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 methylcarbamoyl ester Formula: C36H35N5O6 MolecularWeight: 633.693

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OC(=O)CC1(C(=O)N(CC2=CC=CC=C2N1C3=CC=CC=C3)CCC4=CC=CC=C4)C(=NC(=O)OCC5=CC=CC=C5)N

Isomeric SMILES

CNC(=O)OC(=O)CC1(C(=O)N(CC2=CC=CC=C2N1C3=CC=CC=C3)CCC4=CC=CC=C4)/C(=N/C(=O)OCC5=CC=CC=C5)/N

InChI

InChI=1S/C36H35N5O6/c1-38-34(44)47-31(42)23-36(32(37)39-35(45)46-25-27-15-7-3-8-16-27)33(43)40(22-21-26-13-5-2-6-14-26)24-28-17-11-12-20-30(28)41(36)29-18-9-4-10-19-29/h2-20H,21-25H2,1H3,(H,38,44)(H2,37,39,45)