Molecule ID: 56927760

IUPAC Name: (2R)-N-butyl-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-sulfanylpropanamide

Description: The molecule is a cysteine derivative obtained by formal condensation between N-butyl-L-cysteinamide and (R)-2-hydroxy-2-phenylacetic acid. It is a secondary alcohol, a monocarboxylic acid amide and a L-cysteine derivative.

SMILES: CCCCN=C(O)[C@H](CS)N=C(O)[C@H](O)c1ccccc1

SELFIES: [C][C][C][C][N][=C][Branch1][C][O][C@H1][Branch1][Ring1][C][S][N][=C][Branch1][C][O][C@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C15H22N2O3S/c1-2-3-9-16-14(19)12(10-21)17-15(20)13(18)11-7-5-4-6-8-11/h4-8,12-13,18,21H,2-3,9-10H2,1H3,(H,16,19)(H,17,20)/t12-,13+/m0/s1

Molecular Properties:
- Polar Surface Area: 79.4 Ų
- LogP: 1.5