Basic information
- Standard SMILES
CCOC(Cc1ccc(OC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)c(C)c1)C(=O)O- InChIKey
WOWLTEMGRCOGNX-UHFFFAOYSA-N- Molecular formula
- C25H31NO7
- Average molar mass
- 457.5 g/mol
- Monoisotopic mass
- 457.21005233
Names & identifiers
- Preferred name
- 3-{4-[2-(4-tert-Butoxycarbonylamino-phenyl)-acetoxy]-3-methyl-phenyl}-2-ethoxy-propionic acid
- IUPAC
- 2-ethoxy-3-[3-methyl-4-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]oxyphenyl]propanoic acid
Names & synonyms
SCHEMBL979298CHEMBL3897544WOWLTEMGRCOGNX-UHFFFAOYSA-NBDBM190483US9181181, 263-{4-[2-(4-tert-Butoxycarbonylamino-phenyl)-acetoxy]-3-methyl-phenyl}-2-ethoxy-propionic acid
Database identifiers
- PubChem CID
- 66865148
- ChEMBL
CHEMBL3897544
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 652
Related reactions
2 records
Compound notes
Loading…