Basic information
- Standard SMILES
CC(C)[C@@H](C(=O)N(C)[C@@H](Cc1ccc(O)c(C(C)(C)C)c1)C(N)=O)N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1F- InChIKey
WXDBFEPIAGAOHE-LSQMVHIFSA-N- Molecular formula
- C29H41FN4O5
- Average molar mass
- 544.7 g/mol
Names & identifiers
- Preferred name
- Tyr(2-F)-N-Me-Val-N-Me-Tyr(3-tBu)-NH2
- IUPAC
- (2S)-N-[(2S)-1-amino-3-(3-tert-butyl-4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[(2S)-2-amino-3-(2-fluoro-4-hydroxyphenyl)propanoyl]-methylamino]-N,3-dimethylbutanamide
Names & synonyms
SCHEMBL13796824WXDBFEPIAGAOHE-LSQMVHIFSA-NTyr(2-F)-N-Me-Val-N-Me-Tyr(3-tBu)-NH2
Database identifiers
- PubChem CID
- 57729155
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 850
Related reactions
1 records
Compound notes
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