Molecule ID: 67706172

IUPAC Name: (2S)-2-[[(2S)-2-acetamido-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoic 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-phenylalanine. It is an acetamide and a dipeptide.

SMILES: CSCC[C@H](N=C(C)O)C(O)=N[C@@H](Cc1ccccc1)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][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C16H22N2O4S/c1-11(19)17-13(8-9-23-2)15(20)18-14(16(21)22)10-12-6-4-3-5-7-12/h3-7,13-14H,8-10H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/t13-,14-/m0/s1

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: 0.4