Basic information
- Standard SMILES
C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CCN(C(=O)OC(C)(C)C)CC5)c4)ccc3F)c2)CCN1C(=O)OCc1ccccc1- InChIKey
DBWKSTZAAQCTBT-YTTGMZPUSA-N- Molecular formula
- C45H53FN4O5
- Average molar mass
- 748.9 g/mol
Names & identifiers
- Preferred name
- Phenylmethyl (2S)-4-[(5'-{[({3-[(1-{[(1,1-dimethylethyl)oxy]carbonyl}-4-Piperidinyl)methyl]phenyl}carbonyl)amino]methyl}-2'-fluoro-3-biphenylyl)methyl]-2-methyl-1-piperazinecarboxylate
- IUPAC
- benzyl (2S)-4-[[3-[2-fluoro-5-[[[3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]benzoyl]amino]methyl]phenyl]phenyl]methyl]-2-methylpiperazine-1-carboxylate
Names & synonyms
SCHEMBL1630612DBWKSTZAAQCTBT-YTTGMZPUSA-NPhenylmethyl (2S)-4-[(5'-{[({3-[(1-{[(1,1-dimethylethyl)oxy]carbonyl}-4-Piperidinyl)methyl]phenyl}carbonyl)amino]methyl}-2'-fluoro-3-biphenylyl)methyl]-2-methyl-1-piperazinecarboxylate
Database identifiers
- PubChem CID
- 57730435
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,230
Related reactions
4 records
Compound notes
Loading…