1-(tert-butoxycarbonyl)-3,3-dimethylprolyl-N-[5-chloro-2-(1H-tetraazol-yl)-benzyl]-L-prolinamide
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1-n1cnnn1- InChIKey
KKQXYTMBNGTPNS-VQTJNVASSA-N- Molecular formula
- C25H34ClN7O4
- Average molar mass
- 532 g/mol
Names & identifiers
- Preferred name
- 1-(tert-butoxycarbonyl)-3,3-dimethylprolyl-N-[5-chloro-2-(1H-tetraazol-yl)-benzyl]-L-prolinamide
- IUPAC
- tert-butyl (2S)-2-[(2S)-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-3,3-dimethylpyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL6078348KKQXYTMBNGTPNS-VQTJNVASSA-N1-(tert-butoxycarbonyl)-3,3-dimethylprolyl-N-[5-chloro-2-(1H-tetraazol-yl)-benzyl]-L-prolinamide
Database identifiers
- PubChem CID
- 69656113
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 866
Related reactions
1 records
Compound notes
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