Molecule ID: 124202343

IUPAC Name: (2S)-2-[[(2S)-2-acetamido-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Description: The molecule is a dipeptide obtained by formal condensation of the carboxy group of N-acetyl-L-methionine with the amino group of L-tyrosine. It is an acetamide and a dipeptide.

SMILES: CSCC[C@H](N=C(C)O)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O

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

InChI: InChI=1S/C16H22N2O5S/c1-10(19)17-13(7-8-24-2)15(21)18-14(16(22)23)9-11-3-5-12(20)6-4-11/h3-6,13-14,20H,7-9H2,1-2H3,(H,17,19)(H,18,21)(H,22,23)/t13-,14-/m0/s1

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: 0.5