Molecule ID: 100920138

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

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

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

InChI: InChI=1S/C12H22N2O4S/c1-7(2)10(12(17)18)14-11(16)9(5-6-19-4)13-8(3)15/h7,9-10H,5-6H2,1-4H3,(H,13,15)(H,14,16)(H,17,18)/t9-,10-/m0/s1

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: 0.0