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(F)cc1- InChIKey
WABIRKRIRAPDAI-LSQMVHIFSA-N- Molecular formula
- C29H41FN4O4
- Average molar mass
- 528.7 g/mol
Names & identifiers
- Preferred name
- Phe(4-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-(4-fluorophenyl)propanoyl]-methylamino]-N,3-dimethylbutanamide
Names & synonyms
SCHEMBL13795944WABIRKRIRAPDAI-LSQMVHIFSA-NPhe(4-F)-N-Me-Val-N-Me-Tyr(3-tBu)-NH2
Database identifiers
- PubChem CID
- 57729175
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 809
Related reactions
1 records
Compound notes
Loading…