Molecule ID: 25201266

IUPAC Name: (2S)-2,5-dibenzamidopentanoate

Description: The molecule is the conjugate base of N(2),N(5)-dibenzoyl-L-ornithine; major species at pH 7.3. It derives from a L-ornithinate. It is a conjugate base of a N(2),N(5)-diacyl-L-ornithine.

SMILES: O=C(O)[C@H](CCCN=C([O-])c1ccccc1)N=C(O)c1ccccc1

SELFIES: [O][=C][Branch1][C][O][C@H1][Branch1][P][C][C][C][N][=C][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C19H20N2O4/c22-17(14-8-3-1-4-9-14)20-13-7-12-16(19(24)25)21-18(23)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2,(H,20,22)(H,21,23)(H,24,25)/p-1/t16-/m0/s1

Molecular Properties:
- Polar Surface Area: 98.3 Ų
- LogP: 3.2