Molecule ID: 9856584

IUPAC Name: (3S)-3-amino-4-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-4-oxobutanoic acid

Description: The molecule is a dipeptide obtained by formal condensation of the carboxy group of L-aspartic acid with the amino group of L-methionine. It derives from a L-aspartic acid and a L-methionine.

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

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

InChI: InChI=1S/C9H16N2O5S/c1-17-3-2-6(9(15)16)11-8(14)5(10)4-7(12)13/h5-6H,2-4,10H2,1H3,(H,11,14)(H,12,13)(H,15,16)/t5-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 155.0 Ų
- LogP: -4.1