azetidine-2-carboxylic acid; (2R)-2-(butylsulfonylamino)-3-methylsulfonyl-propanoic acid

Systemtic Name: azetidine-2-carboxylic acid; (2R)-2-(butylsulfonylamino)-3-methylsulfonyl-propanoic acid Openeye Name: azetidine-2-carboxylic acid; (2R)-2-(butylsulfonylamino)-3-methylsulfonyl-propanoic acid CAS Name: 2-azetidinecarboxylic acid; (2R)-2-(butylsulfonylamino)-3-methylsulfonylpropanoic acid IUPAC Name: azetidine-2-carboxylic acid; (2R)-2-(butylsulfonylamino)-3-methylsulfonylpropanoic acid Traditional Name: azetidine-2-carboxylic acid; (2R)-2-(butylsulfonylamino)-3-mesyl-propionic acid Formula: C12H24N2O8S2 MolecularWeight: 388.45756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CS(=O)(=O)C)C(=O)O.C1CNC1C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](CS(=O)(=O)C)C(=O)O.C1CNC1C(=O)O

InChI

InChI=1S/C8H17NO6S2.C4H7NO2/c1-3-4-5-17(14,15)9-7(8(10)11)6-16(2,12)13;6-4(7)3-1-2-5-3/h7,9H,3-6H2,1-2H3,(H,10,11);3,5H,1-2H2,(H,6,7)/t7-;/m0./s1