azetidine-2-carboxylic acid; (2S)-4-methylsulfonyl-2-[(phenylmethyl)sulfonylamino]butanoic acid

Systemtic Name: azetidine-2-carboxylic acid; (2S)-4-methylsulfonyl-2-[(phenylmethyl)sulfonylamino]butanoic acid Openeye Name: azetidine-2-carboxylic acid; (2S)-2-(benzylsulfonylamino)-4-methylsulfonyl-butanoic acid CAS Name: 2-azetidinecarboxylic acid; (2S)-4-methylsulfonyl-2-[(phenylmethyl)sulfonylamino]butanoic acid IUPAC Name: azetidine-2-carboxylic acid; (2S)-2-(benzylsulfonylamino)-4-methylsulfonylbutanoic acid Traditional Name: azetidine-2-carboxylic acid; (2S)-2-(benzylsulfonylamino)-4-mesyl-butyric acid Formula: C16H24N2O8S2 MolecularWeight: 436.50036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO6S2.C4H7NO2/c1-20(16,17)8-7-11(12(14)15)13-21(18,19)9-10-5-3-2-4-6-10;6-4(7)3-1-2-5-3/h2-6,11,13H,7-9H2,1H3,(H,14,15);3,5H,1-2H2,(H,6,7)/t11-;/m0./s1