[(S)-2-Methyl-1-((S)-3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-propyl]-carbamic acid, benzyl ester
Basic information
- CAS
211873-74-4- Standard SMILES
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C- InChIKey
ZWCVIYWGMITRTD-GJZGRUSLSA-N- Molecular formula
- C19H25F3N2O4
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 402.17664177
Names & identifiers
- Preferred name
- [(S)-2-Methyl-1-((S)-3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-propyl]-carbamic acid, benzyl ester
- IUPAC
- benzyl N-[(2S)-3-methyl-1-oxo-1-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]butan-2-yl]carbamate
Names & synonyms
211873-74-4DTXSID20943521[(S)-2-Methyl-1-((S)-3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-propyl]-carbamic acid, benzyl ester(2S)-2-{[(Benzyloxy)(hydroxy)methylidene]amino}-3-methyl-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]butanimidic acid2-{[(Benzyloxy)(hydroxy)methylidene]amino}-3-methyl-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)butanimidic acidbenzyl N-[(1S)-2-methyl-1-[[(1S)-3,3,3-trifluoro-1-isopropyl-2-oxo-propyl]carbamoyl]propyl]carbamate
Database identifiers
- CAS
211873-74-4- PubChem CID
- 478635
- DTXSID
DTXSID20943521- Nikkaji
- J967.365B
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 544
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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