Molecule ID: 71464640

IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoic acid

Description: The molecule is a tetrapeptide composed of L-lysine and three L-methionine units joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-lysine 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)CCCCN)C(=O)O

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

InChI: InChI=1S/C21H41N5O5S3/c1-32-11-7-15(24-18(27)14(23)6-4-5-10-22)19(28)25-16(8-12-33-2)20(29)26-17(21(30)31)9-13-34-3/h14-17H,4-13,22-23H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)(H,30,31)/t14-,15-,16-,17-/m0/s1

Molecular Properties:
- Polar Surface Area: 253.0 Ų
- LogP: -2.1