Molecule ID: 6927279

IUPAC Name: (2S)-2-benzamido-3-phenylpropanoate

Description: The molecule is an N-acyl-L-alpha-amino acid anionresulting from the deprotonation of the carboxy group of N-benzoyl-L-phenylalanine. The major species at pH 7.3. It is a conjugate base of a N-benzoyl-L-phenylalanine.

SMILES: O=C(O)[C@H](Cc1ccccc1)N=C([O-])c1ccccc1

SELFIES: [O][=C][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C16H15NO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,18)(H,19,20)/p-1/t14-/m0/s1

Molecular Properties:
- Polar Surface Area: 69.2 Ų
- LogP: 2.9