(phenylmethyl) 4-[[4-morpholin-4-yl-4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]butanoyl]amino]-3-oxidanylidene-azepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[4-morpholin-4-yl-4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]butanoyl]amino]-3-oxidanylidene-azepane-1-carboxylate Openeye Name: benzyl 4-[[2-(benzylsulfonylmethyl)-4-morpholino-4-oxo-butanoyl]amino]-3-oxo-azepane-1-carboxylate CAS Name: 4-[[4-(4-morpholinyl)-1,4-dioxo-2-[(phenylmethyl)sulfonylmethyl]butyl]amino]-3-oxo-1-azepanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[2-(benzylsulfonylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-3-oxoazepane-1-carboxylate Traditional Name: 4-[[2-(benzylsulfonylmethyl)-4-keto-4-morpholino-butanoyl]amino]-3-keto-azepane-1-carboxylic acid benzyl ester Formula: C30H37N3O8S MolecularWeight: 599.69508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)CN(C1)C(=O)OCC2=CC=CC=C2)NC(=O)C(CC(=O)N3CCOCC3)CS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CC(C(=O)CN(C1)C(=O)OCC2=CC=CC=C2)NC(=O)C(CC(=O)N3CCOCC3)CS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C30H37N3O8S/c34-27-19-33(30(37)41-20-23-8-3-1-4-9-23)13-7-12-26(27)31-29(36)25(18-28(35)32-14-16-40-17-15-32)22-42(38,39)21-24-10-5-2-6-11-24/h1-6,8-11,25-26H,7,12-22H2,(H,31,36)