Carbamic acid, (1-(((3,3-difluoro-2-oxo-5-phenyl-1-(phenylmethyl)pentyl)amino)carbonyl)-2-methylbutyl)-, phenylmethyl ester, (S-(R*,R*))-
Basic information
- CAS
134450-35-4- Standard SMILES
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)CCc1ccccc1- InChIKey
QDKGIYWZWDCRDG-RNCAPKPVSA-N- Molecular formula
- C32H36F2N2O4
- Average molar mass
- 550.6 g/mol
- Monoisotopic mass
- 550.26431396
Names & identifiers
- Preferred name
- Carbamic acid, (1-(((3,3-difluoro-2-oxo-5-phenyl-1-(phenylmethyl)pentyl)amino)carbonyl)-2-methylbutyl)-, phenylmethyl ester, (S-(R*,R*))-
- IUPAC
- benzyl N-[(2S,3S)-1-[[(2S)-4,4-difluoro-3-oxo-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
Names & synonyms
134450-35-4Carbamic acid, (1-(((3,3-difluoro-2-oxo-5-phenyl-1-(phenylmethyl)pentyl)amino)carbonyl)-2-methylbutyl)-, phenylmethyl ester, (S-(R*,R*))-N-(N'-Benzyloxycarbonyl-isoleucinyl)-2-amino-4,4-difluoro-1,6-diphenyl-3-hexanoneCarbamic acid, [1-[[[3,3-difluoro-2-oxo-5-phenyl-1-(phenylmethyl)pentyl]amino]carbonyl]-2-methylbutyl]-, phenylmethyl ester, [S-(R*,R*)]-SCHEMBL7420909DTXSID50158707benzyl N-[(1S,2S)-1-[[(1S)-1-benzyl-3,3-difluoro-2-oxo-5-phenyl-pentyl]carbamoyl]-2-methyl-butyl]carbamateN~2~-[(Benzyloxy)carbonyl]-N-[(2S)-4,4-difluoro-3-oxo-1,6-diphenylhexan-2-yl]-L-isoleucinamide
Database identifiers
- CAS
134450-35-4- PubChem CID
- 452979
- DTXSID
DTXSID50158707
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 790
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Compound notes
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