(2S,3S,4S)-3-(carboxymethyl)-4-(6-oxidanylidene-1H-pyridin-3-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,3S,4S)-3-(carboxymethyl)-4-(6-oxidanylidene-1H-pyridin-3-yl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,3S,4S)-3-(carboxymethyl)-4-(6-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxylic acid CAS Name: (2S,3S,4S)-3-(carboxymethyl)-4-(6-oxo-1H-pyridin-3-yl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,3S,4S)-3-(carboxymethyl)-4-(6-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,3S,4S)-3-(carboxymethyl)-4-(6-keto-1H-pyridin-3-yl)proline Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(N1)C(=O)O)CC(=O)O)C2=CNC(=O)C=C2

Isomeric SMILES

C1[C@@H]([C@@H]([C@H](N1)C(=O)O)CC(=O)O)C2=CNC(=O)C=C2

InChI

InChI=1S/C12H14N2O5/c15-9-2-1-6(4-13-9)8-5-14-11(12(18)19)7(8)3-10(16)17/h1-2,4,7-8,11,14H,3,5H2,(H,13,15)(H,16,17)(H,18,19)/t7-,8+,11-/m0/s1