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

Systemtic Name: methylcarbamoyl 2-[3-oxidanylidene-2-phenethyl-4-phenyl-5-[(Z)-N'-phenylmethoxycarbonylcarbamimidoyl]-1,5-dihydro-2-benzazepin-4-yl]ethanoate Openeye Name: methylcarbamoyl 2-[5-[(Z)-N'-benzyloxycarbonylcarbamimidoyl]-3-oxo-2-phenethyl-4-phenyl-1,5-dihydro-2-benzazepin-4-yl]acetate CAS Name: 2-[5-[(Z)-amino(phenylmethoxycarbonylimino)methyl]-3-oxo-2-phenethyl-4-phenyl-1,5-dihydro-2-benzazepin-4-yl]acetic acid methylcarbamoyl ester IUPAC Name: methylcarbamoyl 2-[3-oxo-2-phenethyl-4-phenyl-5-[(Z)-N'-phenylmethoxycarbonylcarbamimidoyl]-1,5-dihydro-2-benzazepin-4-yl]acetate Traditional Name: 2-[5-[(Z)-N'-carbobenzoxyamidino]-3-keto-2-phenethyl-4-phenyl-1,5-dihydro-2-benzazepin-4-yl]acetic acid methylcarbamoyl ester Formula: C37H36N4O6 MolecularWeight: 632.70494

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OC(=O)CC1(C(C2=CC=CC=C2CN(C1=O)CCC3=CC=CC=C3)C(=NC(=O)OCC4=CC=CC=C4)N)C5=CC=CC=C5

Isomeric SMILES

CNC(=O)OC(=O)CC1(C(C2=CC=CC=C2CN(C1=O)CCC3=CC=CC=C3)/C(=N/C(=O)OCC4=CC=CC=C4)/N)C5=CC=CC=C5

InChI

InChI=1S/C37H36N4O6/c1-39-35(44)47-31(42)23-37(29-18-9-4-10-19-29)32(33(38)40-36(45)46-25-27-15-7-3-8-16-27)30-20-12-11-17-28(30)24-41(34(37)43)22-21-26-13-5-2-6-14-26/h2-20,32H,21-25H2,1H3,(H,39,44)(H2,38,40,45)