(2S)-1-[1-[1-(carboxymethyl)indol-3-yl]-2-oxidanyl-2-oxidanylidene-ethyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[1-[1-(carboxymethyl)indol-3-yl]-2-oxidanyl-2-oxidanylidene-ethyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[1-[1-(carboxymethyl)indol-3-yl]-2-hydroxy-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[1-[1-(carboxymethyl)-3-indolyl]-2-hydroxy-2-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[1-[1-(carboxymethyl)indol-3-yl]-2-hydroxy-2-oxoethyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[1-[1-(carboxymethyl)indol-3-yl]-2-hydroxy-2-keto-ethyl]proline Formula: C17H18N2O6 MolecularWeight: 346.33462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CN(C3=CC=CC=C32)CC(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(C2=CN(C3=CC=CC=C32)CC(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C17H18N2O6/c20-14(21)9-18-8-11(10-4-1-2-5-12(10)18)15(17(24)25)19-7-3-6-13(19)16(22)23/h1-2,4-5,8,13,15H,3,6-7,9H2,(H,20,21)(H,22,23)(H,24,25)/t13-,15?/m0/s1