Molecule ID: 40481312

IUPAC Name: 7-[(4R)-3-[(3S)-3-cyclohexyl-3-hydroxypropyl]-2,5-dioxoimidazolidin-4-yl]heptanoic acid

Description: The molecule is a 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid that is the (3S,4R)-enantiomer of BW 245C. It is an enantiomer of a (3R,4S)-BW 245C.

SMILES: O=C(O)CCCCCC[C@@H]1C(O)=NC(=O)N1CC[C@H](O)C1CCCCC1

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

InChI: InChI=1S/C19H32N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h14-16,22H,1-13H2,(H,23,24)(H,20,25,26)/t15-,16+/m1/s1

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: 2.9