Molecule ID: 688142

IUPAC Name: (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylpentanoic acid

Description: The molecule is an N-acyl-L-amino acid that is the N-indole-3-acetyl derivative of L-leucine. It is a N-acyl-L-amino acid, a L-leucine derivative and a N-(indole-3-acetyl)leucine.

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

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

InChI: InChI=1S/C16H20N2O3/c1-10(2)7-14(16(20)21)18-15(19)8-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,14,17H,7-8H2,1-2H3,(H,18,19)(H,20,21)/t14-/m0/s1

Molecular Properties:
- Polar Surface Area: 82.2 Ų
- LogP: 2.5