5-[3-oxidanyl-3-oxidanylidene-2-[(phenylmethyl)amino]propyl]pyrrolidine-1,2-dicarboxylic acid

Systemtic Name: 5-[3-oxidanyl-3-oxidanylidene-2-[(phenylmethyl)amino]propyl]pyrrolidine-1,2-dicarboxylic acid Openeye Name: 5-[2-(benzylamino)-3-hydroxy-3-oxo-propyl]pyrrolidine-1,2-dicarboxylic acid CAS Name: 5-[3-hydroxy-3-oxo-2-[(phenylmethyl)amino]propyl]pyrrolidine-1,2-dicarboxylic acid IUPAC Name: 5-[2-(benzylamino)-3-hydroxy-3-oxopropyl]pyrrolidine-1,2-dicarboxylic acid Traditional Name: 5-[2-(benzylamino)-3-hydroxy-3-keto-propyl]pyrrolidine-1,2-dicarboxylic acid Formula: C16H20N2O6 MolecularWeight: 336.3398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1CC(C(=O)O)NCC2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1CC(C(=O)O)NCC2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H20N2O6/c19-14(20)12(17-9-10-4-2-1-3-5-10)8-11-6-7-13(15(21)22)18(11)16(23)24/h1-5,11-13,17H,6-9H2,(H,19,20)(H,21,22)(H,23,24)