Basic information
- Standard SMILES
Cc1cc(OCC(=O)OCc2ccccc2)cc(C)c1S(=O)(=O)OC[C@@](C)(O)C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C- InChIKey
ISWICEPIKZVKHZ-VVFBEHOQSA-N- Molecular formula
- C31H43NO10S
- Average molar mass
- 621.7 g/mol
Names & identifiers
- Preferred name
- Benzyl 2-(4-((((2R,4S)-4-((tert-butoxycarbonyl)amino)-2-hydroxy-2,6-dimethyl-3-oxoheptyl)oxy)sulfonyl)-3,5-dimethylphenoxy)acetate
- IUPAC
- benzyl 2-[4-[(2R,4S)-2-hydroxy-2,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxoheptoxy]sulfonyl-3,5-dimethylphenoxy]acetate
Names & synonyms
SCHEMBL15634698ISWICEPIKZVKHZ-VVFBEHOQSA-NBenzyl 2-(4-((((2R,4S)-4-((tert-butoxycarbonyl)amino)-2-hydroxy-2,6-dimethyl-3-oxoheptyl)oxy)sulfonyl)-3,5-dimethylphenoxy)acetate
Database identifiers
- PubChem CID
- 86715366
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 17
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
4 records
Compound notes
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