Basic information
- Standard SMILES
C[C@H](c1nc(-c2ccc(NS(C)(=O)=O)cc2Cl)no1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC1- InChIKey
FLCJKYSFHSVPQA-GUYCJALGSA-N- Molecular formula
- C22H30ClN5O6S
- Average molar mass
- 528 g/mol
Names & identifiers
- Preferred name
- 1-[(2S,3S)-2-[(tert-Butoxycarbonyl)amino]-3-[3-[2-chloro-4-[(methylsulfonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]-1-oxobutyl]pyrrolidine
- IUPAC
- tert-butyl N-[(2S,3S)-3-[3-[2-chloro-4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate
Names & synonyms
SCHEMBL2888011FLCJKYSFHSVPQA-GUYCJALGSA-N1-[(2S,3S)-2-[(tert-Butoxycarbonyl)amino]-3-[3-[2-chloro-4-[(methylsulfonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]-1-oxobutyl]pyrrolidine
Database identifiers
- PubChem CID
- 68429006
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 857
Related reactions
1 records
Compound notes
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