Molecule ID: 138911101

IUPAC Name: (2S)-5-amino-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoic acid

Description: The molecule is a tripeptide composed of L-cysteine, L-methionine and L-glutamine joined in sequence by peptide linkages. It derives from a L-cysteine, a L-methionine and a L-glutamine.

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

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

InChI: InChI=1S/C13H24N4O5S2/c1-24-5-4-8(16-11(19)7(14)6-23)12(20)17-9(13(21)22)2-3-10(15)18/h7-9,23H,2-6,14H2,1H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)/t7-,8-,9-/m0/s1

Molecular Properties:
- Polar Surface Area: 191.0 Ų
- LogP: -4.1