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Basic information
- Standard SMILES
COC(=O)[C@H](Cc1ccc(OCCOc2c(Cl)cc(C)cc2Cl)cc1)NC(=O)OC(C)(C)C- InChIKey
ROZPCRYITKTOIU-FQEVSTJZSA-N- Molecular formula
- C24H29Cl2NO6
- Average molar mass
- 498.4 g/mol
- Monoisotopic mass
- 497.137193
Names & identifiers
- Preferred name
- Methyl N-(tert-butoxycarbonyl)-O-[2-(2,6-dichloro-4-methylphenoxy)ethyl]tyrosinate
- IUPAC
- methyl (2S)-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Names & synonyms
SCHEMBL664506ROZPCRYITKTOIU-FQEVSTJZSA-NMethyl N-(tert-butoxycarbonyl)-O-[2-(2,6-dichloro-4-methylphenoxy)ethyl]tyrosinate
Database identifiers
- PubChem CID
- 66762575
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 609
Related reactions
1 records
Compound notes
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