Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(NC(=O)C2(NC(=O)c3cc4ccccc4o3)CCCCC2)C(O)C1- InChIKey
ZURZXIWWGOXIFE-UHFFFAOYSA-N- Molecular formula
- C26H35N3O6
- Average molar mass
- 485.6 g/mol
- Monoisotopic mass
- 485.25258584
Names & identifiers
- Preferred name
- 4-[N-[1-[N-(benzofuran-2-ylcarbonyl)amino]cyclohexanecarbonyl]amino]-1-tert-butoxycarbonyl-3-piperidinol
- IUPAC
- tert-butyl 4-[[1-(1-benzofuran-2-carbonylamino)cyclohexanecarbonyl]amino]-3-hydroxypiperidine-1-carboxylate
Names & synonyms
SCHEMBL5097616ZURZXIWWGOXIFE-UHFFFAOYSA-N4-[N-[1-[N-(benzofuran-2-ylcarbonyl)amino]cyclohexanecarbonyl]amino]-1-tert-butoxycarbonyl-3-piperidinol
Database identifiers
- PubChem CID
- 69310066
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 790
Related reactions
2 records
Compound notes
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