Basic information
- CAS
183860-46-0- Standard SMILES
O=C(NCC(F)(F)F)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)NCC(F)(F)F)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1- InChIKey
UVWWXOZKXJOILJ-WZJLIZBTSA-N- Molecular formula
- C39H38F6N4O5
- Average molar mass
- 756.7 g/mol
- Monoisotopic mass
- 756.2746393
Names & identifiers
- Preferred name
- 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide
- IUPAC
- 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide
- English name
- 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(2,2,2-triflu oroethylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-(2,2,2-tr ifluoroethyl)benzamide
- Molecular formula
- C39H38F6N4O5
- Molecular weight
- 756.73
Names & synonyms
183860-46-03-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamideCHEMBL275024Benzamide, 3,3'-(((4R,5S,6S,7R)-tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene))bis(N-(2,2,2-trifluoroethyl)-(4aalpha,5alpha,6beta,7beta)-3,3'-(Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethy)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene)bis(N-(2,2,2-trifluoroethyl)benzamide)Benzamide, 3,3'-[[(4R,5S,6S,7R)-tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)]bis[N-(2,2,2-trifluoroethyl)-DTXSID20171509BDBM500541613-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(2,2,2-triflu oroethylcarbamoyl)phenyl]meth(4a.alpha.,5.alpha.,6.beta.,7.beta.)-3,3'-[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethy)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)bis[N-(2,2,2-trifluoroethyl)benzamide]
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,140
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…