Basic information
- Standard SMILES
Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1/C=C/C[C@H](NC(=O)OC(C)(C)C)C(=O)OC1CCCC1- InChIKey
ODZAATFNARNIPK-RGPPVUSESA-N- Molecular formula
- C28H42BNO6
- Average molar mass
- 499.4 g/mol
Names & identifiers
- Preferred name
- Cyclopentyl(2S,4E)-2-[(tert-butoxycarbonyl)amino]-5-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pent-4-enoate
- IUPAC
- cyclopentyl (E,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pent-4-enoate
Names & synonyms
SCHEMBL490823ODZAATFNARNIPK-RGPPVUSESA-NCyclopentyl(2S,4E)-2-[(tert-butoxycarbonyl)amino]-5-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pent-4-enoate
Database identifiers
- PubChem CID
- 59243602
Properties
Computed structural properties
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 782
Related reactions
1 records
Compound notes
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