3-[(3S,4S,5S)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-oxidanylidene-1H-pyridine-2-carboxylic acid

Systemtic Name: 3-[(3S,4S,5S)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-oxidanylidene-1H-pyridine-2-carboxylic acid Openeye Name: 3-[(3S,4S,5S)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxylic acid CAS Name: 3-[(3S,4S,5S)-5-carboxy-4-(carboxymethyl)-3-pyrrolidinyl]-6-oxo-1H-pyridine-2-carboxylic acid IUPAC Name: 3-[(3S,4S,5S)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxylic acid Traditional Name: 3-[(3S,4S,5S)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-keto-1H-pyridine-2-carboxylic acid Formula: C13H14N2O7 MolecularWeight: 310.25946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O7/c16-8-2-1-5(11(15-8)13(21)22)7-4-14-10(12(19)20)6(7)3-9(17)18/h1-2,6-7,10,14H,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t6-,7+,10-/m0/s1