Basic information
- Standard SMILES
CCCCCC(C)(O)CS[C@H]1[C@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1- InChIKey
SSYZAZSNNMZOEZ-ONNUEXRDSA-N- Molecular formula
- C33H43NO6S
- Average molar mass
- 581.8 g/mol
Names & identifiers
- Preferred name
- 11alpha,15-Dihydroxy-15-methyl-9-oxo-13-thia-5-prostenoic acid p-benzoylaminophenyl ester
- IUPAC
- (4-benzamidophenyl) 7-[(1S,2R,3R)-3-hydroxy-2-(2-hydroxy-2-methylheptyl)sulfanyl-5-oxocyclopentyl]hept-5-enoate
Names & synonyms
SCHEMBL11286591SSYZAZSNNMZOEZ-ONNUEXRDSA-N11alpha,15-dihydroxy-15-methyl-9-oxo-13-thia-5-prostenoic acid p-benzoylaminophenyl ester
Database identifiers
- PubChem CID
- 70554139
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 17
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 851
Related reactions
1 records
Compound notes
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