Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1[C@H](Cc2ccc(C(=O)N3C4CCC3C3CCC4N3Cc3ccccn3)cc2)CC[C@@H]1[C@H](O)c1ccccc1- InChIKey
AYLPHTPLUXUONK-WXHNLVAGSA-N- Molecular formula
- C38H46N4O4
- Average molar mass
- 622.8 g/mol
Names & identifiers
- Preferred name
- Tert-butyl (2R,5S)-2-[(R)-hydroxy(phenyl)methyl]-5-(4-{[10-(pyridin-2-ylmethyl)-9,10-diazatricyclo[4.2.1.12,5]dec-9-yl]carbonyl}benzyl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (2R,5S)-2-[(R)-hydroxy(phenyl)methyl]-5-[[4-[10-(pyridin-2-ylmethyl)-9,10-diazatricyclo[4.2.1.12,5]decane-9-carbonyl]phenyl]methyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL9963397AYLPHTPLUXUONK-WXHNLVAGSA-NTert-butyl (2R,5S)-2-[(R)-hydroxy(phenyl)methyl]-5-(4-{[10-(pyridin-2-ylmethyl)-9,10-diazatricyclo[4.2.1.12,5]dec-9-yl]carbonyl}benzyl)pyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 67986715
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
2 records
Compound notes
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