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

Systemtic Name: (2S)-2-acetamidopentanedioic acid; 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol Openeye Name: (2S)-2-acetamidopentanedioic acid; 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol CAS Name: (2S)-2-acetamidopentanedioic acid; 4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol IUPAC Name: (2S)-2-acetamidopentanedioic acid; 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol Traditional Name: (2S)-2-acetamidoglutaric acid; 2-methyl-4,5-dimethylol-pyridin-3-ol Formula: C15H22N2O8 MolecularWeight: 358.34378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)CO.CC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C8H11NO3.C7H11NO5/c1-5-8(12)7(4-11)6(3-10)2-9-5;1-4(9)8-5(7(12)13)2-3-6(10)11/h2,10-12H,3-4H2,1H3;5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t;5-/m.0/s1