Basic information
- Standard SMILES
CC(C)(C)OC(=O)C(CS(=O)(=O)N1CCc2ccccc2C1)C1CCN(C(=O)OCc2ccccc2)CC1- InChIKey
DFKVYDZPKOZWCO-UHFFFAOYSA-N- Molecular formula
- C29H38N2O6S
- Average molar mass
- 542.7 g/mol
Names & identifiers
- Preferred name
- 4-[1-tert-Butoxycarbonyl-2-(3,4-dihydro-1H-isoquinoline-2-sulfonyl)-ethyl]-piperidine-1-carboxylic acid benzyl ester
- IUPAC
- benzyl 4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL6347668DFKVYDZPKOZWCO-UHFFFAOYSA-N4-[1-tert-Butoxycarbonyl-2-(3,4-dihydro-1H-isoquinoline-2-sulfonyl)-ethyl]-piperidine-1-carboxylic acid benzyl ester
Database identifiers
- PubChem CID
- 69748522
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 897
Related reactions
3 records
Compound notes
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