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Basic information
- Standard SMILES
CC(C)(C)Cc1ccc2c(c1)[C@@H](NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)OC(C)(C)C)CCO2- InChIKey
PGZNVQZFCHDJSV-CCDWMCETSA-N- Molecular formula
- C29H40F2N2O4
- Average molar mass
- 518.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl (1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-{[(4S)-6-neopentyl-3,4-dihydro-2H-chromen-4-yl]amino}propylcarbamate
- IUPAC
- tert-butyl N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]-3-hydroxybutan-2-yl]carbamate
Names & synonyms
SCHEMBL13804513PGZNVQZFCHDJSV-CCDWMCETSA-Ntert-butyl (1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-{[(4S)-6-neopentyl-3,4-dihydro-2H-chromen-4-yl]amino}propylcarbamate
Database identifiers
- PubChem CID
- 57718585
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 716
Related reactions
3 records
Compound notes
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