Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1[C@H](Cc2ccc(C(=O)N3CCC4(CC3)CC(C3CC3)OC4=O)cc2)CC[C@@H]1[C@H](O)c1ccccc1- InChIKey
ITVZVPAGKSHALK-XPQCGGCSSA-N- Molecular formula
- C35H44N2O6
- Average molar mass
- 588.7 g/mol
Names & identifiers
- Preferred name
- Tert-butyl(2S,5R)-2-{4-[(3-cyclopropyl-1-oxo-2-oxa-8-azaspiro[4.5]dec-8-yl)carbonyl]-benzyl}-5-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (2S,5R)-2-[[4-(3-cyclopropyl-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]methyl]-5-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL9934842ITVZVPAGKSHALK-XPQCGGCSSA-NTert-butyl(2S,5R)-2-{4-[(3-cyclopropyl-1-oxo-2-oxa-8-azaspiro[4.5]dec-8-yl)carbonyl]-benzyl}-5-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 67972721
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
1 records
Compound notes
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