(2R)-2-acetamido-3-sulfanyl-propanoic acid; 1,2-diethyl-3-oxidanyl-pyridin-4-one

Systemtic Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; 1,2-diethyl-3-oxidanyl-pyridin-4-one Openeye Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; 1,2-diethyl-3-hydroxy-pyridin-4-one CAS Name: (2R)-2-acetamido-3-mercaptopropanoic acid; 1,2-diethyl-3-hydroxy-4-pyridinone IUPAC Name: (2R)-2-acetamido-3-sulfanylpropanoic acid; 1,2-diethyl-3-hydroxypyridin-4-one Traditional Name: (2R)-2-acetamido-3-mercapto-propionic acid; 1,2-diethyl-3-hydroxy-4-pyridone Formula: C14H22N2O5S MolecularWeight: 330.39988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=CN1CC)O.CC(=O)NC(CS)C(=O)O

Isomeric SMILES

CCC1=C(C(=O)C=CN1CC)O.CC(=O)N[C@@H](CS)C(=O)O

InChI

InChI=1S/C9H13NO2.C5H9NO3S/c1-3-7-9(12)8(11)5-6-10(7)4-2;1-3(7)6-4(2-10)5(8)9/h5-6,12H,3-4H2,1-2H3;4,10H,2H2,1H3,(H,6,7)(H,8,9)/t;4-/m.0/s1