Basic information
- Standard SMILES
C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C- InChIKey
IYDBQCZYZKQGCD-YWZLYKJASA-N- Molecular formula
- C24H28F2N2O4
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.2017137
Names & identifiers
- Preferred name
- (S)-2-{(S)-2-[2-(3,5-Difluoro-phenyl)-acetylamino]-propionylamino}-3-phenyl-propionic acid tert-butyl ester
- IUPAC
- tert-butyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-3-phenylpropanoate
Names & synonyms
CHEMBL177969SCHEMBL5966881IYDBQCZYZKQGCD-YWZLYKJASA-NBDBM50143556N-[N-(3,5-Difluorophenylacetyl)-L-alaninyl]-L-phenylalanine tert-Butyl Ester(S)-2-{(S)-2-[2-(3,5-Difluoro-phenyl)-acetylamino]-propionylamino}-3-phenyl-propionic acid tert-butyl ester
Database identifiers
- PubChem CID
- 22894895
- ChEMBL
CHEMBL177969- Nikkaji
- J2.478.967E
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 636
Related reactions
6 records
Compound notes
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