Molecule ID: 124202344

IUPAC Name: (2S)-2-[[(2S)-2-acetamido-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoic 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-tryptophan. It is an acetamide and a dipeptide.

SMILES: CSCC[C@H](N=C(C)O)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)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][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C18H23N3O4S/c1-11(22)20-15(7-8-26-2)17(23)21-16(18(24)25)9-12-10-19-14-6-4-3-5-13(12)14/h3-6,10,15-16,19H,7-9H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/t15-,16-/m0/s1

Molecular Properties:
- Polar Surface Area: 137.0 Ų
- LogP: 1.0