Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](COC(F)F)C(=O)N[C@@H](COC(F)F)C(=O)O- InChIKey
ZHQNPJNYDUFVQG-BQBZGAKWSA-N- Molecular formula
- C13H20F4N2O7
- Average molar mass
- 392.3 g/mol
Names & identifiers
- Preferred name
- (S)-2-((S)-2-tert-butoxycarbonylamino-3-difluoromethoxy-propionylamino)-3-difluoromethoxy-propionic acid
- IUPAC
- (2S)-3-(difluoromethoxy)-2-[[(2S)-3-(difluoromethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
Names & synonyms
(S)-2-((S)-2-tert-butoxycarbonylamino-3-difluoromethoxy-propionylamino)-3-difluoromethoxy-propionic acidSCHEMBL15569489
Database identifiers
- PubChem CID
- 90040906
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 486
Related reactions
1 records
Compound notes
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