(3S)-1-[5-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]pyridin-2-yl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[5-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]pyridin-2-yl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[5-[(4-hydroxy-4-oxo-butanoyl)amino]-2-pyridyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[5-[(4-hydroxy-1,4-dioxobutyl)amino]-2-pyridinyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[5-[(4-hydroxy-4-oxobutanoyl)amino]pyridin-2-yl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[5-[(4-hydroxy-4-keto-butanoyl)amino]-2-pyridyl]nipecotic acid Formula: C15H19N3O5 MolecularWeight: 321.32846

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=C(C=C2)NC(=O)CCC(=O)O)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=C(C=C2)NC(=O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C15H19N3O5/c19-13(5-6-14(20)21)17-11-3-4-12(16-8-11)18-7-1-2-10(9-18)15(22)23/h3-4,8,10H,1-2,5-7,9H2,(H,17,19)(H,20,21)(H,22,23)/t10-/m0/s1