N-[5-chloro-2-(1H-tetraazol-1-yl)benzyl]-1-[1-(tert-butoxycarbonyl)-(2R)-piperidin-2-ylcarbonyl]-L-prolinamide
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1-n1cnnn1- InChIKey
IDFOXJHZYRSGGO-VQTJNVASSA-N- Molecular formula
- C24H32ClN7O4
- Average molar mass
- 518 g/mol
- Monoisotopic mass
- 517.2204302
Names & identifiers
- Preferred name
- N-[5-chloro-2-(1H-tetraazol-1-yl)benzyl]-1-[1-(tert-butoxycarbonyl)-(2R)-piperidin-2-ylcarbonyl]-L-prolinamide
- IUPAC
- tert-butyl (2R)-2-[(2S)-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL6077964IDFOXJHZYRSGGO-VQTJNVASSA-NN-[5-chloro-2-(1H-tetraazol-1-yl)benzyl]-1-[1-(tert-butoxycarbonyl)-(2R)-piperidin-2-ylcarbonyl]-L-prolinamide
Database identifiers
- PubChem CID
- 69655970
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 810
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Related reactions
1 records
Compound notes
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