Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@H](CN(C(=O)OC(C)(C)C)c1ncc(Br)s1)[C@@H](CO)c1ccc(C(F)(F)F)cc1- InChIKey
BFAYSJBPHLMMQM-DLBZAZTESA-N- Molecular formula
- C24H31BrF3N3O5S
- Average molar mass
- 610.5 g/mol
- Monoisotopic mass
- 609.11199
Names & identifiers
- Preferred name
- (2S,3S)-3-(Boc)amino-4-(5-bromothiazol-2-yl(Boc)amino)-2-(4-(trifluoromethyl)phenyl)butan-1-ol
- IUPAC
- tert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-[(2S,3S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]butyl]carbamate
Names & synonyms
(2S,3S)-3-(Boc)amino-4-(5-bromothiazol-2-yl(Boc)amino)-2-(4-(trifluoromethyl)phenyl)butan-1-olSCHEMBL2546509tert-butyl (2S,3S)-1-(5-bromothiazol-2-yl-(Boc)-amino)-4-hydroxy-3-(4-(trifluoromethyl)phenyl)butan-2-ylcarbamatetert-Butyl (5-bromo-1,3-thiazol-2-yl)((2S,3S)-2-((tert-butoxycarbonyl)amino)-4-hydroxy-3-(4-(trifluoromethyl)phenyl)butyl)carbamate
Database identifiers
- PubChem CID
- 57634162
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 770
Related reactions
4 records
Compound notes
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