(2S,3R,4S)-3-(carboxymethyl)-4-(4-carboxyphenoxy)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,3R,4S)-3-(carboxymethyl)-4-(4-carboxyphenoxy)pyrrolidine-2-carboxylic acid Openeye Name: (2S,3R,4S)-3-(carboxymethyl)-4-(4-carboxyphenoxy)pyrrolidine-2-carboxylic acid CAS Name: (2S,3R,4S)-3-(carboxymethyl)-4-(4-carboxyphenoxy)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,3R,4S)-3-(carboxymethyl)-4-(4-carboxyphenoxy)pyrrolidine-2-carboxylic acid Traditional Name: (2S,3R,4S)-3-(carboxymethyl)-4-(4-carboxyphenoxy)proline Formula: C14H15NO7 MolecularWeight: 309.2714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO7/c16-11(17)5-9-10(6-15-12(9)14(20)21)22-8-3-1-7(2-4-8)13(18)19/h1-4,9-10,12,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/t9-,10+,12-/m0/s1