Basic information
- Standard SMILES
C[C@H](COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)OC(=O)c1ccccc1- InChIKey
LRVPEOXGGVAVBS-QAPCUYQASA-N- Molecular formula
- C24H29NO8
- Average molar mass
- 459.5 g/mol
Names & identifiers
- Preferred name
- (2R)-2-Phenylcarbonyloxypropyl(2S)-2-(tert-Butoxycarbonyl)amino-3-(3,4-dihydroxyphenyl)propanoate
- IUPAC
- [(2R)-1-[(2S)-3-(3,4-dihydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxypropan-2-yl] benzoate
Names & synonyms
SCHEMBL2312325LRVPEOXGGVAVBS-QAPCUYQASA-N(2R)-2-phenylcarbonyloxypropyl (2S)-2-(tert-butoxycarbonyl)amino-3-(3,4-dihydroxyphenyl)propanoate(2r)-2-phenylcarbonyloxypropyl (2s)-3-(3,4-dihydroxyphenyl)-2-[(tert-butoxy)carbonylamino]propanoate(2R)-2-Phenylcarbonyloxypropyl(2S)-2-(tert-Butoxycarbonyl)amino-3-(3,4-dihydroxyphenyl)propanoate(2r)-2-phenylcarbonyloxypropyl(2s)-3-(3,4-dihydroxyphenyl)-2-[(tert-butoxy)carbonylamino]propanoate
Database identifiers
- PubChem CID
- 46899463
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 655
Related reactions
32 records
Compound notes
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