(2S)-2-[[6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]methylazaniumyl]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]methylazaniumyl]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-pyran-2-yl]methylammonio]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-2-pyranyl]methylammonio]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methylazaniumyl]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(3-hydroxy-4-keto-6-methylol-pyran-2-yl)methylammonio]-4-(methylthio)butyrate Formula: C12H17NO6S MolecularWeight: 303.33148

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])[NH2+]CC1=C(C(=O)C=C(O1)CO)O

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])[NH2+]CC1=C(C(=O)C=C(O1)CO)O

InChI

InChI=1S/C12H17NO6S/c1-20-3-2-8(12(17)18)13-5-10-11(16)9(15)4-7(6-14)19-10/h4,8,13-14,16H,2-3,5-6H2,1H3,(H,17,18)/t8-/m0/s1