1-[2-({1-carboxy-3-[(2,3,4,5,6-²H?)phenyl]propyl}amino)propanoyl]pyrrolidine-2-carboxylic acid

CAS: 349554-00-3

Formula: C18H24N2O5

SMILES: [2H]C1=C([2H])C([2H])=C(CCC(NC(C)C(=O)N2CCCC2C(O)=O)C(O)=O)C([2H])=C1[2H]

IUPAC: 1-[2-({1-carboxy-3-[(2,3,4,5,6-²H?)phenyl]propyl}amino)propanoyl]pyrrolidine-2-carboxylic acid

InChI: InChI=1/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/i2D,3D,4D,6D,7D

Composition: C (61.17%), H (5.42%), [2H] (2.85%), N (7.93%), O (22.63%)

Molar Mass: 353.43

Atom Count: 49

Heavy Atom Count: 25