sodium (2S)-4-methylsulfonyl-2-[(4-oxidanylthiolan-3-yl)amino]butanoate

Systemtic Name: sodium (2S)-4-methylsulfonyl-2-[(4-oxidanylthiolan-3-yl)amino]butanoate Openeye Name: sodium (2S)-2-[(4-hydroxytetrahydrothiophen-3-yl)amino]-4-methylsulfonyl-butanoate CAS Name: sodium (2S)-2-[(4-hydroxy-3-thiolanyl)amino]-4-methylsulfonylbutanoate IUPAC Name: sodium (2S)-2-[(4-hydroxythiolan-3-yl)amino]-4-methylsulfonylbutanoate Traditional Name: sodium (2S)-2-[(4-hydroxytetrahydrothiophen-3-yl)amino]-4-mesyl-butyrate Formula: C9H16NNaO5S2 MolecularWeight: 305.34681

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC1CSCC1O.[Na+]

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC1CSCC1O.[Na+]

InChI

InChI=1S/C9H17NO5S2.Na/c1-17(14,15)3-2-6(9(12)13)10-7-4-16-5-8(7)11;/h6-8,10-11H,2-5H2,1H3,(H,12,13);/q;+1/p-1/t6-,7?,8?;/m0./s1