Molecule ID: 6437357

IUPAC Name: (2E,4R,5S,6E)-3,5-dimethoxy-4-methyl-7-[2-[2-[(3E,5E)-7-methylocta-3,5-dien-2-yl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]hepta-2,6-dienamide

Description: The molecule is a 2,4'-bi-1,3-thiazole substituted at the 4-position with a (1E,3S,4R,5E)-7-amino-3,5-dimethoxy-4-methyl-7-oxohepta-1,5-dien-1-yl] group and at the 2'-position with a (2S,3E,5E)-7-methylocta-3,5-dien-2-yl group. It is an inhibitor of coenzyme Q - cytochrome c reductase. It has a role as a mitochondrial respiratory-chain inhibitor and a metabolite. It is a member of 1,3-thiazoles and a monocarboxylic acid amide.

SMILES: CO/C(=C/C(=N)O)[C@H](C)[C@H](/C=C/c1csc(-c2csc(C(C)/C=C/C=C/C(C)C)n2)n1)OC

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

InChI: InChI=1S/C25H33N3O3S2/c1-16(2)9-7-8-10-17(3)24-28-20(15-33-24)25-27-19(14-32-25)11-12-21(30-5)18(4)22(31-6)13-23(26)29/h7-18,21H,1-6H3,(H2,26,29)/b9-7+,10-8+,12-11+,22-13+/t17?,18-,21+/m1/s1

Molecular Properties:
- Polar Surface Area: 144.0 Ų
- LogP: 4.8