Basic information
- Standard SMILES
CC(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC1CC2CCC1C2- InChIKey
XZLXVFQIRZQXKU-RWAJGHALSA-N- Molecular formula
- C29H46N2O4
- Average molar mass
- 486.7 g/mol
Names & identifiers
- Preferred name
- [(1S,2S,4R)-1-Benzyl-4-(bicyclo[2.2.1]hept-2-ylcarbamoyl)-2-hydroxy-7-methyl-octyl]carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[(2S,3S,5R)-5-(2-bicyclo[2.2.1]heptanylcarbamoyl)-3-hydroxy-8-methyl-1-phenylnonan-2-yl]carbamate
Names & synonyms
SCHEMBL5621919XZLXVFQIRZQXKU-RWAJGHALSA-N[(1S,2S,4R)-1-Benzyl-4-(bicyclo [2.2.1]hept-2-ylcarbamoyl)-2-hydroxy-7-methyl-octyl]-carbamic acid tert-butyl ester[(1S,2S,4R)-1-Benzyl-4-(bicyclo [2.2.1]hept-2-ylcarbamoyl)-2-hydroxy-7-methyl-octyl]carbamic Acid Tert-Butyl Ester[(1S,2S,4R)-1-Benzyl-4-(bicyclo[2.2.1]hept-2-ylcarbamoyl)-2-hydroxy-7-methyl-octyl]carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69508375
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 683
Related reactions
3 records
Compound notes
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