3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoic acid; pyridine-3-carboxamide

Systemtic Name: 3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoic acid; pyridine-3-carboxamide Openeye Name: 3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoic acid; pyridine-3-carboxamide CAS Name: 3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]propanoic acid; 3-pyridinecarboxamide IUPAC Name: 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid; pyridine-3-carboxamide Traditional Name: 3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propionic acid; nicotinamide Formula: C15H23N3O6 MolecularWeight: 341.35962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(C(=O)NCCC(=O)O)O.C1=CC(=CN=C1)C(=O)N

Isomeric SMILES

CC(C)(CO)C(C(=O)NCCC(=O)O)O.C1=CC(=CN=C1)C(=O)N

InChI

InChI=1S/C9H17NO5.C6H6N2O/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;7-6(9)5-2-1-3-8-4-5/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);1-4H,(H2,7,9)