Molecule ID: 124202360

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

Description: The molecule is a dipeptide obtained by formal condensation of the carboxy group of N-acetyl-L-methionine with the amino group of L-glutamine. It is a dipeptide and an acetamide.

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

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

InChI: InChI=1S/C12H21N3O5S/c1-7(16)14-8(5-6-21-2)11(18)15-9(12(19)20)3-4-10(13)17/h8-9H,3-6H2,1-2H3,(H2,13,17)(H,14,16)(H,15,18)(H,19,20)/t8-,9-/m0/s1

Molecular Properties:
- Polar Surface Area: 164.0 Ų
- LogP: -1.4