Molecule ID: 56927745

IUPAC Name: (2S)-2-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-N-butylpropanamide

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

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

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

InChI: InChI=1S/C15H23N3O3/c1-3-4-9-17-14(20)10(2)18-15(21)13(16)11-5-7-12(19)8-6-11/h5-8,10,13,19H,3-4,9,16H2,1-2H3,(H,17,20)(H,18,21)/t10-,13+/m0/s1

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 1.0