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

Systemtic Name: 4-[[2-(2-methylpropylsulfonylmethyl)-4-morpholin-4-yl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-azepane-1-carboxylic acid Openeye Name: 3-hydroxy-4-[[2-(isobutylsulfonylmethyl)-4-morpholino-4-oxo-butanoyl]amino]azepane-1-carboxylic acid CAS Name: 3-hydroxy-4-[[2-(2-methylpropylsulfonylmethyl)-4-(4-morpholinyl)-1,4-dioxobutyl]amino]-1-azepanecarboxylic acid IUPAC Name: 3-hydroxy-4-[[2-(2-methylpropylsulfonylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]azepane-1-carboxylic acid Traditional Name: 3-hydroxy-4-[[2-(isobutylsulfonylmethyl)-4-keto-4-morpholino-butanoyl]amino]azepane-1-carboxylic acid Formula: C20H35N3O8S MolecularWeight: 477.5722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)CC(CC(=O)N1CCOCC1)C(=O)NC2CCCN(CC2O)C(=O)O

Isomeric SMILES

CC(C)CS(=O)(=O)CC(CC(=O)N1CCOCC1)C(=O)NC2CCCN(CC2O)C(=O)O

InChI

InChI=1S/C20H35N3O8S/c1-14(2)12-32(29,30)13-15(10-18(25)22-6-8-31-9-7-22)19(26)21-16-4-3-5-23(20(27)28)11-17(16)24/h14-17,24H,3-13H2,1-2H3,(H,21,26)(H,27,28)