Basic information
- Standard SMILES
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC1CC(C)CN(S(=O)(=O)c2ccccn2)CC1O- InChIKey
ODHZURYHOKTGAY-UHFFFAOYSA-N- Molecular formula
- C23H38N4O6S
- Average molar mass
- 498.6 g/mol
- Monoisotopic mass
- 498.25120612
Names & identifiers
- Preferred name
- tert-butyl N-[1-[(3-hydroxy-6-methyl-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
- IUPAC
- tert-butyl N-[1-[(3-hydroxy-6-methyl-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
Names & synonyms
SCHEMBL6243092
Database identifiers
- PubChem CID
- 21036479
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 792
Related reactions
1 records
Compound notes
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