(2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxyphenyl)-5-oxidanylidene-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxyphenyl)-5-oxidanylidene-pyrrolidine-2-carboxylic acid Openeye Name: (2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxyphenyl)-5-oxo-pyrrolidine-2-carboxylic acid CAS Name: (2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxyphenyl)-5-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxyphenyl)-5-oxopyrrolidine-2-carboxylic acid Traditional Name: (2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxyphenyl)-5-keto-proline Formula: C13H13NO6 MolecularWeight: 279.24542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2C(C(NC2=O)C(=O)O)CC(=O)O)O

Isomeric SMILES

C1=CC=C(C(=C1)[C@@H]2[C@@H]([C@H](NC2=O)C(=O)O)CC(=O)O)O

InChI

InChI=1S/C13H13NO6/c15-8-4-2-1-3-6(8)10-7(5-9(16)17)11(13(19)20)14-12(10)18/h1-4,7,10-11,15H,5H2,(H,14,18)(H,16,17)(H,19,20)/t7-,10+,11-/m0/s1