(2S)-3-methyl-2-[(2R)-6-oxidanyl-4-oxidanylidene-2-propyl-2,3-dihydropyridin-1-yl]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(2R)-6-oxidanyl-4-oxidanylidene-2-propyl-2,3-dihydropyridin-1-yl]butanoic acid Openeye Name: (2S)-2-[(2R)-6-hydroxy-4-oxo-2-propyl-2,3-dihydropyridin-1-yl]-3-methyl-butanoic acid CAS Name: (2S)-2-[(2R)-6-hydroxy-4-oxo-2-propyl-2,3-dihydropyridin-1-yl]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(2R)-6-hydroxy-4-oxo-2-propyl-2,3-dihydropyridin-1-yl]-3-methylbutanoic acid Traditional Name: (2S)-2-[(2R)-6-hydroxy-4-keto-2-propyl-2,3-dihydropyridin-1-yl]-3-methyl-butyric acid Formula: C13H21NO4 MolecularWeight: 255.31014

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(=O)C=C(N1C(C(C)C)C(=O)O)O

Isomeric SMILES

CCC[C@@H]1CC(=O)C=C(N1[C@@H](C(C)C)C(=O)O)O

InChI

InChI=1S/C13H21NO4/c1-4-5-9-6-10(15)7-11(16)14(9)12(8(2)3)13(17)18/h7-9,12,16H,4-6H2,1-3H3,(H,17,18)/t9-,12+/m1/s1