azetidine-2-carboxylic acid; (2R)-3-methylsulfonyl-2-[(phenylmethyl)sulfonylamino]propanoic acid

Systemtic Name: azetidine-2-carboxylic acid; (2R)-3-methylsulfonyl-2-[(phenylmethyl)sulfonylamino]propanoic acid Openeye Name: azetidine-2-carboxylic acid; (2R)-2-(benzylsulfonylamino)-3-methylsulfonyl-propanoic acid CAS Name: 2-azetidinecarboxylic acid; (2R)-3-methylsulfonyl-2-[(phenylmethyl)sulfonylamino]propanoic acid IUPAC Name: azetidine-2-carboxylic acid; (2R)-2-(benzylsulfonylamino)-3-methylsulfonylpropanoic acid Traditional Name: azetidine-2-carboxylic acid; (2R)-2-(benzylsulfonylamino)-3-mesyl-propionic acid Formula: C15H22N2O8S2 MolecularWeight: 422.47378

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(C(=O)O)NS(=O)(=O)CC1=CC=CC=C1.C1CNC1C(=O)O

Isomeric SMILES

CS(=O)(=O)C[C@@H](C(=O)O)NS(=O)(=O)CC1=CC=CC=C1.C1CNC1C(=O)O

InChI

InChI=1S/C11H15NO6S2.C4H7NO2/c1-19(15,16)8-10(11(13)14)12-20(17,18)7-9-5-3-2-4-6-9;6-4(7)3-1-2-5-3/h2-6,10,12H,7-8H2,1H3,(H,13,14);3,5H,1-2H2,(H,6,7)/t10-;/m0./s1