Molecule ID: 49852410

IUPAC Name: 2-[(2-benzamidoacetyl)amino]-6-(carboxymethylamino)hexanoic acid

Description: The molecule is a lysine derivative in which the alpha-amino nitrogen of the amino acid has entered into amide formation with hippuric acid.

SMILES: O=C(O)CNCCCCC(N=C(O)CN=C(O)c1ccccc1)C(=O)O

SELFIES: [O][=C][Branch1][C][O][C][N][C][C][C][C][C][Branch2][Ring1][Ring2][N][=C][Branch1][C][O][C][N][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C17H23N3O6/c21-14(10-19-16(24)12-6-2-1-3-7-12)20-13(17(25)26)8-4-5-9-18-11-15(22)23/h1-3,6-7,13,18H,4-5,8-11H2,(H,19,24)(H,20,21)(H,22,23)(H,25,26)

Molecular Properties:
- Polar Surface Area: 145.0 Ų
- LogP: -1.9