Basic information
- Standard SMILES
CC(=O)NC(CCCCB1OC(C)(C)C(C)(C)O1)(CCC1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)NC(C)(C)C- InChIKey
NIDKHKVMDZXALV-UHFFFAOYSA-N- Molecular formula
- C34H56BN3O6
- Average molar mass
- 613.6 g/mol
- Monoisotopic mass
- 613.4262167
Names & identifiers
- Preferred name
- tert-butyl 3-(3-acetamido-3-(tert-butylcarbamoyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
- IUPAC
- tert-butyl 3-[3-acetamido-3-(tert-butylcarbamoyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Names & synonyms
SCHEMBL895373NIDKHKVMDZXALV-UHFFFAOYSA-Ntert-butyl 3-(3-acetamido-3-(tert-butylcarbamoyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Database identifiers
- PubChem CID
- 66833409
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
2 records
Compound notes
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