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

Systemtic Name: (2S)-2-[[6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]methylazaniumyl]-3-methyl-butanoate Openeye Name: (2S)-2-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-pyran-2-yl]methylammonio]-3-methyl-butanoate CAS Name: (2S)-2-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-2-pyranyl]methylammonio]-3-methylbutanoate IUPAC Name: (2S)-2-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methylazaniumyl]-3-methylbutanoate Traditional Name: (2S)-2-[(3-hydroxy-4-keto-6-methylol-pyran-2-yl)methylammonio]-3-methyl-butyrate Formula: C12H17NO6 MolecularWeight: 271.26648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO6/c1-6(2)10(12(17)18)13-4-9-11(16)8(15)3-7(5-14)19-9/h3,6,10,13-14,16H,4-5H2,1-2H3,(H,17,18)/t10-/m0/s1