Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)nc1NC(=O)c1ccc(CNC(=O)OCc2ccccc2)cc1- InChIKey
LHJYHHXQZTWTKG-UHFFFAOYSA-N- Molecular formula
- C32H32N4O5
- Average molar mass
- 552.6 g/mol
- Monoisotopic mass
- 552.23727013
Names & identifiers
- Preferred name
- Benzyl{4-[({3-[(tert-butoxycarbonyl)amino]-6-phenylpyridin-2-yl}amino)carbonyl]benzyl}carbamate
- IUPAC
- benzyl N-[[4-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenyl-2-pyridinyl]carbamoyl]phenyl]methyl]carbamate
Names & synonyms
SCHEMBL8082841LHJYHHXQZTWTKG-UHFFFAOYSA-Nbenzyl{4-[({3-[(tert-butoxycarbonyl)amino]-6-phenylpyridin-2-yl}amino)carbonyl]benzyl}carbamate
Database identifiers
- PubChem CID
- 59627862
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 842
Related reactions
2 records
Compound notes
Loading…