(2S)-2-azanylbutanedioic acid; 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol

Systemtic Name: (2S)-2-azanylbutanedioic acid; 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol Openeye Name: (2S)-2-aminobutanedioic acid; 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol CAS Name: (2S)-2-aminobutanedioic acid; 4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol IUPAC Name: (2S)-2-aminobutanedioic acid; 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol Traditional Name: (2S)-2-aminosuccinic acid; 2-methyl-4,5-dimethylol-pyridin-3-ol Formula: C12H18N2O7 MolecularWeight: 302.28052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)CO.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)CO.C([C@@H](C(=O)O)N)C(=O)O

InChI

InChI=1S/C8H11NO3.C4H7NO4/c1-5-8(12)7(4-11)6(3-10)2-9-5;5-2(4(8)9)1-3(6)7/h2,10-12H,3-4H2,1H3;2H,1,5H2,(H,6,7)(H,8,9)/t;2-/m.0/s1