(2R,3S,4R)-3-(carboxymethyl)-4-(2-carboxy-4-methyl-phenoxy)pyrrolidine-2-carboxylic acid

Systemtic Name: (2R,3S,4R)-3-(carboxymethyl)-4-(2-carboxy-4-methyl-phenoxy)pyrrolidine-2-carboxylic acid Openeye Name: (2R,3S,4R)-3-(carboxymethyl)-4-(2-carboxy-4-methyl-phenoxy)pyrrolidine-2-carboxylic acid CAS Name: (2R,3S,4R)-3-(carboxymethyl)-4-(2-carboxy-4-methylphenoxy)-2-pyrrolidinecarboxylic acid IUPAC Name: (2R,3S,4R)-3-(carboxymethyl)-4-(2-carboxy-4-methylphenoxy)pyrrolidine-2-carboxylic acid Traditional Name: (2R,3S,4R)-3-(carboxymethyl)-4-(2-carboxy-4-methyl-phenoxy)proline Formula: C15H17NO7 MolecularWeight: 323.29798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2CNC(C2CC(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)O[C@H]2CN[C@H]([C@@H]2CC(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C15H17NO7/c1-7-2-3-10(9(4-7)14(19)20)23-11-6-16-13(15(21)22)8(11)5-12(17)18/h2-4,8,11,13,16H,5-6H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t8-,11+,13-/m1/s1