Basic information
- Standard SMILES
CC(C)(C(=O)N1CC(O)C(O)C1)S(=O)(=O)CC(Cc1ccccc1)C(=O)OCc1ccccc1- InChIKey
ZGBUARLDORREQW-UHFFFAOYSA-N- Molecular formula
- C25H31NO7S
- Average molar mass
- 489.6 g/mol
Names & identifiers
- Preferred name
- benzyl (RS)-alpha-[[[1-[[(3RS,4RS)-3,4-dihydroxy-1-pyrrolidinyl]carbonyl]-1-methylethyl]sulfonyl]methyl]hydrocinnamate
- IUPAC
- benzyl 2-benzyl-3-[1-(3,4-dihydroxypyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]sulfonylpropanoate
Names & synonyms
ZGBUARLDORREQW-UHFFFAOYSA-Nbenzyl (RS)-alpha-[[[1-[[(3RS,4RS)-3,4-dihydroxy-1-pyrrolidinyl]carbonyl]-1-methylethyl]sulfonyl]methyl]hydrocinnamate
Database identifiers
- PubChem CID
- 54545256
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 785
Related reactions
1 records
Compound notes
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