Basic information
- Standard SMILES
C[C@H](NC(=O)OCc1ccccc1)c1nc2ccccc2n1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1- InChIKey
LOQWCOFAYNYYGA-PZJWPPBQSA-N- Molecular formula
- C27H34N4O4
- Average molar mass
- 478.6 g/mol
Names & identifiers
- Preferred name
- (R)-3-[2-((S)-1-Benzyloxycarbonylaminoethyl)benzoimidazol-1-yl]piperidine-1-carboxylic acid tertbutyl ester
- IUPAC
- tert-butyl (3R)-3-[2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]benzimidazol-1-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL11901465LOQWCOFAYNYYGA-PZJWPPBQSA-N(R)-3-[2-((S)-1-Benzyloxycarbonylaminoethyl)benzoimidazol-1-yl]piperidine-1-carboxylic acid tertbutyl ester
Database identifiers
- PubChem CID
- 68157686
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 720
Related reactions
2 records
Compound notes
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