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

Systemtic Name: 2-azanyl-3-[(5-ethenyl-2-methyl-3-oxidanyl-pyridin-4-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(3-hydroxy-2-methyl-5-vinyl-4-pyridyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(5-ethenyl-3-hydroxy-2-methyl-4-pyridinyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(5-ethenyl-3-hydroxy-2-methylpyridin-4-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(3-hydroxy-2-methyl-5-vinyl-4-pyridyl)methylthio]propionic acid Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3S/c1-3-8-4-14-7(2)11(15)9(8)5-18-6-10(13)12(16)17/h3-4,10,15H,1,5-6,13H2,2H3,(H,16,17)