Basic information
- Standard SMILES
CC(C)C[C@H]1[C@H](C=C(CCCOC2CCCCO2)C(=O)O)OC(C)(C)N1C(=O)OCc1ccccc1- InChIKey
OOZCDMYDLZUJBF-JWDFLIAJSA-N- Molecular formula
- C28H41NO7
- Average molar mass
- 503.6 g/mol
Names & identifiers
- Preferred name
- 3-[(4S,5S)-3-benzyloxycarbonyl-2,2-dimethyl-4-isobutyloxazolidine-5-yl]-2-[3-(2-tetrahydropyranyloxy)propyl]-2-propenoic acid
- IUPAC
- 2-[[(4S,5S)-2,2-dimethyl-4-(2-methylpropyl)-3-phenylmethoxycarbonyl-1,3-oxazolidin-5-yl]methylidene]-5-(oxan-2-yloxy)pentanoic acid
Names & synonyms
SCHEMBL7287438OOZCDMYDLZUJBF-JWDFLIAJSA-N3-[(4S,5S)-3-benzyloxycarbonyl-2,2-dimethyl-4-isobutyloxazolidine-5-yl]-2-[3-(2-tetrahydropyranyloxy)propyl]-2-propenoic acid
Database identifiers
- PubChem CID
- 70046205
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 744
Related reactions
1 records
Compound notes
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