2-(3-methylsulfonylpropanoylamino)-3-oxidanyl-propanoic acid

Systemtic Name: 2-(3-methylsulfonylpropanoylamino)-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-(3-methylsulfonylpropanoylamino)propanoic acid CAS Name: 3-hydroxy-2-[(3-methylsulfonyl-1-oxopropyl)amino]propanoic acid IUPAC Name: 3-hydroxy-2-(3-methylsulfonylpropanoylamino)propanoic acid Traditional Name: 3-hydroxy-2-(3-mesylpropanoylamino)propionic acid Formula: C7H13NO6S MolecularWeight: 239.24622

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(=O)NC(CO)C(=O)O

Isomeric SMILES

CS(=O)(=O)CCC(=O)NC(CO)C(=O)O

InChI

InChI=1S/C7H13NO6S/c1-15(13,14)3-2-6(10)8-5(4-9)7(11)12/h5,9H,2-4H2,1H3,(H,8,10)(H,11,12)