Basic information
- Standard SMILES
COC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1)c1cncc(OCc2ccc(C#N)c(Br)c2)c1- InChIKey
LETVWHJKKBWDKG-JOMNFKBKSA-N- Molecular formula
- C36H46BrN5O7
- Average molar mass
- 740.7 g/mol
Names & identifiers
- Preferred name
- tert-butyl-4-{3-[(3R)-3-{[(1S)-1-{5-[(3-bromo-4-cyanobenzyl) oxy]pyridin-3-yl}-3-methoxy-3-oxopropyl]carbamoyl}piperidin-1-yl]-3-oxopropyl}piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[3-[(3R)-3-[[(1S)-1-[5-[(3-bromo-4-cyanophenyl)methoxy]-3-pyridinyl]-3-methoxy-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL14699391LETVWHJKKBWDKG-JOMNFKBKSA-Ntert-butyl-4-{3-[(3R)-3-{[(1S)-1-{5-[(3-bromo-4-cyanobenzyl) oxy]pyridin-3-yl}-3-methoxy-3-oxopropyl]carbamoyl}piperidin-1-yl]-3-oxopropyl}piperidine-1-carboxylatetert-butyl-4-{3-[(3R)-3-{[(1S)-1-{5-[(3-bromo-4-cyanobenzyl)oxy]pyridin-3-yl}-3-methoxy-3-oxopropyl]carbamoyl}piperidin-1-yl]-3-oxopropyl}piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 71259765
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
1 records
Compound notes
Loading…