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

Systemtic Name: methylcarbamoyl 2-[1-methyl-3-oxidanylidene-4-phenethyl-2-phenyl-5-[(Z)-N'-phenylmethoxycarbonylcarbamimidoyl]-5H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: methylcarbamoyl 2-[5-[(Z)-N'-benzyloxycarbonylcarbamimidoyl]-1-methyl-3-oxo-4-phenethyl-2-phenyl-5H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[5-[(Z)-amino(phenylmethoxycarbonylimino)methyl]-1-methyl-3-oxo-4-phenethyl-2-phenyl-5H-1,4-benzodiazepin-2-yl]acetic acid methylcarbamoyl ester IUPAC Name: methylcarbamoyl 2-[1-methyl-3-oxo-4-phenethyl-2-phenyl-5-[(Z)-N'-phenylmethoxycarbonylcarbamimidoyl]-5H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[5-[(Z)-N'-carbobenzoxyamidino]-3-keto-1-methyl-4-phenethyl-2-phenyl-5H-1,4-benzodiazepin-2-yl]acetic acid methylcarbamoyl ester Formula: C37H37N5O6 MolecularWeight: 647.71958

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OC(=O)CC1(C(=O)N(C(C2=CC=CC=C2N1C)C(=NC(=O)OCC3=CC=CC=C3)N)CCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CNC(=O)OC(=O)CC1(C(=O)N(C(C2=CC=CC=C2N1C)/C(=N/C(=O)OCC3=CC=CC=C3)/N)CCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C37H37N5O6/c1-39-35(45)48-31(43)24-37(28-18-10-5-11-19-28)34(44)42(23-22-26-14-6-3-7-15-26)32(29-20-12-13-21-30(29)41(37)2)33(38)40-36(46)47-25-27-16-8-4-9-17-27/h3-21,32H,22-25H2,1-2H3,(H,39,45)(H2,38,40,46)