Molecule ID: 138911105

IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid

Description: The molecule is a tripeptide composed of two L-tryptophan and one L-valine residues joined by peptide linkages. It derives from a L-tryptophan and a L-valine.

SMILES: CC(C)[C@H](N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O

SELFIES: [C][C][Branch1][C][C][C@H1][Branch2][Ring2][=C][N][=C][Branch1][C][O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][=C][Branch1][C][O][C@@H1][Branch1][C][N][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C27H31N5O4/c1-15(2)24(27(35)36)32-26(34)23(12-17-14-30-22-10-6-4-8-19(17)22)31-25(33)20(28)11-16-13-29-21-9-5-3-7-18(16)21/h3-10,13-15,20,23-24,29-30H,11-12,28H2,1-2H3,(H,31,33)(H,32,34)(H,35,36)/t20-,23-,24-/m0/s1

Molecular Properties:
- Polar Surface Area: 153.0 Ų
- LogP: 0.4