Molecule ID: 56927809

IUPAC Name: (2R)-2-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-N-butyl-3-sulfanylpropanamide

Description: The molecule is a dipeptide consisting of N-butyl-L-cysteinamide having an (R)-2-amino-2-(4-hydroxyphenyl)acetyl residue attached to its alpha-amino nitrogen. It is a dipeptide and a L-cysteine derivative.

SMILES: CCCCN=C(O)[C@H](CS)N=C(O)[C@H](N)c1ccc(O)cc1

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][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C15H23N3O3S/c1-2-3-8-17-14(20)12(9-22)18-15(21)13(16)10-4-6-11(19)7-5-10/h4-7,12-13,19,22H,2-3,8-9,16H2,1H3,(H,17,20)(H,18,21)/t12-,13+/m0/s1

Molecular Properties:
- Polar Surface Area: 105.0 Ų
- LogP: 0.9