Molecule ID: 71464677

IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoic acid

Description: The molecule is a tetrapeptide composed of one L-cysteine and three L-methionine units joined by peptide linkages. It has a role as a metabolite. It derives from a L-cysteine and a L-methionine.

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

SELFIES: [C][S][C][C][C@H1][Branch2][Ring2][Ring2][N][=C][Branch1][C][O][C@H1][Branch1][Branch1][C][C][S][C][N][=C][Branch1][C][O][C@H1][Branch1][Branch1][C][C][S][C][N][=C][Branch1][C][O][C@@H1][Branch1][C][N][C][S][C][=Branch1][C][=O][O]

InChI: InChI=1S/C18H34N4O5S4/c1-29-7-4-12(20-15(23)11(19)10-28)16(24)21-13(5-8-30-2)17(25)22-14(18(26)27)6-9-31-3/h11-14,28H,4-10,19H2,1-3H3,(H,20,23)(H,21,24)(H,22,25)(H,26,27)/t11-,12-,13-,14-/m0/s1

Molecular Properties:
- Polar Surface Area: 228.0 Ų
- LogP: -1.9