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

Systemtic Name: 4-[[4-morpholin-4-yl-4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]butanoyl]amino]-3-oxidanylidene-azepane-1-carboxylic acid Openeye Name: 4-[[2-(benzylsulfonylmethyl)-4-morpholino-4-oxo-butanoyl]amino]-3-oxo-azepane-1-carboxylic acid CAS Name: 4-[[4-(4-morpholinyl)-1,4-dioxo-2-[(phenylmethyl)sulfonylmethyl]butyl]amino]-3-oxo-1-azepanecarboxylic acid IUPAC Name: 4-[[2-(benzylsulfonylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-3-oxoazepane-1-carboxylic acid Traditional Name: 4-[[2-(benzylsulfonylmethyl)-4-keto-4-morpholino-butanoyl]amino]-3-keto-azepane-1-carboxylic acid Formula: C23H31N3O8S MolecularWeight: 509.57254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)CN(C1)C(=O)O)NC(=O)C(CC(=O)N2CCOCC2)CS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CC(C(=O)CN(C1)C(=O)O)NC(=O)C(CC(=O)N2CCOCC2)CS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O8S/c27-20-14-26(23(30)31)8-4-7-19(20)24-22(29)18(13-21(28)25-9-11-34-12-10-25)16-35(32,33)15-17-5-2-1-3-6-17/h1-3,5-6,18-19H,4,7-16H2,(H,24,29)(H,30,31)