(2S,3S,4S)-3-(carboxymethyl)-4-(6-carboxy-2-oxidanylidene-pyran-3-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,3S,4S)-3-(carboxymethyl)-4-(6-carboxy-2-oxidanylidene-pyran-3-yl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,3S,4S)-3-(carboxymethyl)-4-(6-carboxy-2-oxo-pyran-3-yl)pyrrolidine-2-carboxylic acid CAS Name: (2S,3S,4S)-3-(carboxymethyl)-4-(6-carboxy-2-oxo-3-pyranyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,3S,4S)-3-(carboxymethyl)-4-(6-carboxy-2-oxopyran-3-yl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,3S,4S)-4-(6-carboxy-2-keto-pyran-3-yl)-3-(carboxymethyl)proline Formula: C13H13NO8 MolecularWeight: 311.24422

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(N1)C(=O)O)CC(=O)O)C2=CC=C(OC2=O)C(=O)O

Isomeric SMILES

C1[C@@H]([C@@H]([C@H](N1)C(=O)O)CC(=O)O)C2=CC=C(OC2=O)C(=O)O

InChI

InChI=1S/C13H13NO8/c15-9(16)3-6-7(4-14-10(6)12(19)20)5-1-2-8(11(17)18)22-13(5)21/h1-2,6-7,10,14H,3-4H2,(H,15,16)(H,17,18)(H,19,20)/t6-,7+,10-/m0/s1