Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)NC(Cc2ccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc2)C(N)=O)CCOCC1- InChIKey
WVNVFDKDZKBRFD-UHFFFAOYSA-N- Molecular formula
- C29H38N4O7S
- Average molar mass
- 586.7 g/mol
- Monoisotopic mass
- 586.24612074
Names & identifiers
- Preferred name
- tert-butyl N-[4-[[1-amino-3-[4-[4-(azetidin-1-ylsulfonyl)phenyl]phenyl]-1-oxopropan-2-yl]carbamoyl]oxan-4-yl]carbamate
- IUPAC
- tert-butyl N-[4-[[1-amino-3-[4-[4-(azetidin-1-ylsulfonyl)phenyl]phenyl]-1-oxopropan-2-yl]carbamoyl]oxan-4-yl]carbamate
Database identifiers
- PubChem CID
- 77795517
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
2 records
Compound notes
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