2-azanyl-3-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylthio]propanoic acid IUPAC Name: 2-amino-3-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(5-hydroxy-6-methyl-4-methylol-3-pyridyl)methylthio]propionic acid Formula: C11H16N2O4S MolecularWeight: 272.32074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O4S/c1-6-10(15)8(3-14)7(2-13-6)4-18-5-9(12)11(16)17/h2,9,14-15H,3-5,12H2,1H3,(H,16,17)