Basic information
- Standard SMILES
COC(=O)[C@H](CCCCN)N(C(=O)OC(C)(C)C)C(=O)[C@H](C)NC(=O)Cc1cc(F)cc(F)c1- InChIKey
NKARMRVTBJERTJ-KSSFIOAISA-N- Molecular formula
- C23H33F2N3O6
- Average molar mass
- 485.5 g/mol
Names & identifiers
- Preferred name
- N-[N-(3,5-Difluorophenylacetyl)-L-alaninyl]-N-(tert-butoxycarbonyl)-L-lysine Methyl Ester
- IUPAC
- methyl (2S)-6-amino-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate
Names & synonyms
SCHEMBL5967152NKARMRVTBJERTJ-KSSFIOAISA-NN-[N-(3,5-Difluorophenylacetyl)-L-alaninyl]-N-(tert-butoxycarbonyl)-L-lysine Methyl Ester
Database identifiers
- PubChem CID
- 22894902
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 705
Related reactions
1 records
Compound notes
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