(2S,3R)-2-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]-3-oxidanyl-butanoic acid

Systemtic Name: (2S,3R)-2-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]-3-oxidanyl-butanoic acid Openeye Name: (2S,3R)-3-hydroxy-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylamino]butanoic acid CAS Name: (2S,3R)-3-hydroxy-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]butanoic acid IUPAC Name: (2S,3R)-3-hydroxy-2-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]butanoic acid Traditional Name: (2S,3R)-3-hydroxy-2-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methylamino]butyric acid Formula: C12H18N2O5 MolecularWeight: 270.28172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNC(C(C)O)C(=O)O)CO

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O5/c1-6-11(17)9(8(5-15)3-13-6)4-14-10(7(2)16)12(18)19/h3,7,10,14-17H,4-5H2,1-2H3,(H,18,19)/t7-,10+/m1/s1