Molecule ID: 7009580

IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]propanoate

Description: The molecule is a peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Met-Ala. It is a tautomer of a Met-Ala.

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

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

InChI: InChI=1S/C8H16N2O3S/c1-5(8(12)13)10-7(11)6(9)3-4-14-2/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 122.0 Ų
- LogP: -2.8