Molecule ID: 135563681

IUPAC Name: (2S)-2-(hexadecanoylamino)-2-hydroxyacetate

Description: The molecule is an N-acyl-(2S)-hydroxyglycinate resulting from the deprotonation of the carboxy group of N-hexadecanoyl-(2S)-hydroxyglycine. The major species at pH 7.3. It is an organic molecular entity and a N-acyl-(2S)-hydroxyglycinate. It is a conjugate base of a N-hexadecanoyl-(2S)-hydroxyglycine.

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

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

InChI: InChI=1S/C18H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20)19-17(21)18(22)23/h17,21H,2-15H2,1H3,(H,19,20)(H,22,23)/p-1/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 89.5 Ų
- LogP: 6.6