3,3-dimethyl-5-oxo-5-{6-oxo-5-[3-(trifluoromethyl)phenyl]-7,11-diazatricyclo[7.3.1.0²,?]trideca-2,4-dien-11-yl}pentanoic acid
AlkaPlorer ID: AK162227
Synonym: None
IUPAC Name: 3,3-dimethyl-5-oxo-5-[(1R,9S)-6-oxo-5-[3-(trifluoromethyl)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]pentanoic acid
Structure
SMILES: CC(C)(CC(=O)O)CC(=O)N1C[C@@H]2C[C@H](C1)C1=CC=C(C3=CC=CC(C(F)(F)F)=C3)C(=O)N1C2
InChI: InChI=1S/C25H27F3N2O4/c1-24(2,11-22(32)33)10-21(31)29-12-15-8-17(14-29)20-7-6-19(23(34)30(20)13-15)16-4-3-5-18(9-16)25(26,27)28/h3-7,9,15,17H,8,10-14H2,1-2H3,(H,32,33)/t15-,17+/m0/s1
InChIKey: HZVAPZAVWOBWIN-DOTOQJQBSA-N
Reference
The Stereochemical Structures of the Furanosesquiterpenoidal β-Hydroxy Ketones from the Myoporaceae
PubChem CID: 9424343
Source
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Properties Information
Molecule Weight: 476.4950000000001
TPSA？: 79.61000000000001
MolLogP？: 4.370800000000004
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
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