Basic information
- Standard SMILES
CCOC(=O)[C@@H]1CC[C@@H](N(OCc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])CN1C(=O)OC(C)(C)C- InChIKey
FHYFHHQEXFINPR-IRLDBZIGSA-N- Molecular formula
- C26H33N3O9S
- Average molar mass
- 563.6 g/mol
Names & identifiers
- Preferred name
- (2S,5R)-1-tert-butyl 2-ethyl 5-(N-(benzyloxy)-2-nitrophenylsulfonamido)piperidine-1,2-dicarboxylate
- IUPAC
- 1-O-tert-butyl 2-O-ethyl (2S,5R)-5-[(2-nitrophenyl)sulfonyl-phenylmethoxyamino]piperidine-1,2-dicarboxylate
Names & synonyms
SCHEMBL15287962FHYFHHQEXFINPR-IRLDBZIGSA-N(2S,5R)-1-tert-butyl 2-ethyl 5-(N-(benzyloxy)-2-nitrophenylsulfonamido)piperidine-1,2-dicarboxylate
Database identifiers
- PubChem CID
- 86700664
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 951
Related reactions
22 records
Compound notes
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