Molecule ID: 9841578

IUPAC Name: 2-[(1S,3S)-1-(dimethylamino)-3-methylpentyl]-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid

Description: The molecule is an indole alkaloid isolated from the red alga Martensia fragilis and has been shown to inhibit lipid peroxidation. It has a role as a metabolite and an antioxidant. It is an indole alkaloid, a member of 1,3-oxazoles, a tertiary amino compound and a monocarboxylic acid.

SMILES: CC[C@H](C)C[C@@H](c1nc(C(=O)O)c(-c2c[nH]c3ccccc23)o1)N(C)C

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

InChI: InChI=1S/C20H25N3O3/c1-5-12(2)10-16(23(3)4)19-22-17(20(24)25)18(26-19)14-11-21-15-9-7-6-8-13(14)15/h6-9,11-12,16,21H,5,10H2,1-4H3,(H,24,25)/t12-,16-/m0/s1

Molecular Properties:
- Polar Surface Area: 82.4 Ų
- LogP: 1.8