Basic information
- Standard SMILES
CN(C(=O)OC(C)(C)C)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1- InChIKey
SUOPPCUCKHHYGC-UHFFFAOYSA-N- Molecular formula
- C34H45N5O5
- Average molar mass
- 603.8 g/mol
- Monoisotopic mass
- 603.34206955
Names & identifiers
- Preferred name
- (3-{2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl]-acetylamino}-phenyl)-methyl-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[3-[[2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]phenyl]-N-methylcarbamate
Names & synonyms
SCHEMBL3913056SUOPPCUCKHHYGC-UHFFFAOYSA-N(3-{2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl]-acetylamino}-phenyl)-methyl-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68836726
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
12 records
Compound notes
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