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

Systemtic Name: 4-[[2-(cyclopropylmethylsulfonylmethyl)-4-morpholin-4-yl-4-oxidanylidene-butanoyl]amino]-3-oxidanylidene-azepane-1-carboxylic acid Openeye Name: 4-[[2-(cyclopropylmethylsulfonylmethyl)-4-morpholino-4-oxo-butanoyl]amino]-3-oxo-azepane-1-carboxylic acid CAS Name: 4-[[2-(cyclopropylmethylsulfonylmethyl)-4-(4-morpholinyl)-1,4-dioxobutyl]amino]-3-oxo-1-azepanecarboxylic acid IUPAC Name: 4-[[2-(cyclopropylmethylsulfonylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-3-oxoazepane-1-carboxylic acid Traditional Name: 4-[[2-(cyclopropylmethylsulfonylmethyl)-4-keto-4-morpholino-butanoyl]amino]-3-keto-azepane-1-carboxylic acid Formula: C20H31N3O8S MolecularWeight: 473.54044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)CN(C1)C(=O)O)NC(=O)C(CC(=O)N2CCOCC2)CS(=O)(=O)CC3CC3

Isomeric SMILES

C1CC(C(=O)CN(C1)C(=O)O)NC(=O)C(CC(=O)N2CCOCC2)CS(=O)(=O)CC3CC3

InChI

InChI=1S/C20H31N3O8S/c24-17-11-23(20(27)28)5-1-2-16(17)21-19(26)15(13-32(29,30)12-14-3-4-14)10-18(25)22-6-8-31-9-7-22/h14-16H,1-13H2,(H,21,26)(H,27,28)