3-{4-[4-(2-Tert-butoxycarbonylamino-2-dimethylcarbamoyl-ethyl)-phenoxy]-phenyl}-propionic acid
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Basic information
- Standard SMILES
CN(C)C(=O)C(Cc1ccc(Oc2ccc(CCC(=O)O)cc2)cc1)NC(=O)OC(C)(C)C- InChIKey
UGOHAJPWGYDKPC-UHFFFAOYSA-N- Molecular formula
- C25H32N2O6
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.22603674
Names & identifiers
- Preferred name
- 3-{4-[4-(2-Tert-butoxycarbonylamino-2-dimethylcarbamoyl-ethyl)-phenoxy]-phenyl}-propionic acid
- IUPAC
- 3-[4-[4-[3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenoxy]phenyl]propanoic acid
Names & synonyms
SCHEMBL4597076UGOHAJPWGYDKPC-UHFFFAOYSA-N3-{4-[4-(2-tert-butoxycarbonylamino-2-dimethylcarbamoyl-ethyl)-phenoxy]-phenyl}-propionic acid
Database identifiers
- PubChem CID
- 59762811
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 644
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Related reactions
6 records
Compound notes
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