Basic information
- Standard SMILES
CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(F)cc2F)c1- InChIKey
UBKFVZXUXIXUIH-UHFFFAOYSA-N- Molecular formula
- C34H40F2N4O9S
- Average molar mass
- 718.8 g/mol
Names & identifiers
- Preferred name
- (1-Benzyl-3-{[3-(2,4-difluoro-benzylamino)-4-nitro-benzenesulfonyl]-isobutyl-amino}-2-hydroxy-propyl)-carbamic Acid hexahydro-furo[2,3-b]furan-3-yl Ester
- IUPAC
- 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[4-[[3-[(2,4-difluorophenyl)methylamino]-4-nitrophenyl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Names & synonyms
SCHEMBL4708992UBKFVZXUXIXUIH-UHFFFAOYSA-N(1-Benzyl-3-{[3-(2,4-difluoro-benzylamino)-4-nitro-benzenesulfonyl]-isobutyl-amino}-2-hydroxy-propyl)-carbamic Acid hexahydro-furo[2,3-b]furan-3-yl Ester
Database identifiers
- PubChem CID
- 69155346
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 15
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
2 records
Compound notes
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