Basic information
- Standard SMILES
C=CCCC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(O)c2C)CSC1(C)C- InChIKey
NNZULKFQXQUMRP-GVXSCFBNSA-N- Molecular formula
- C28H34N2O5S
- Average molar mass
- 510.6 g/mol
Names & identifiers
- Preferred name
- N-[(1S,2S)-1-Benzyl-3-((R)-5,5-dimethyl-4-pent-4-enoyl-thiazolidin-3-yl)-2-hydroxy-3-oxo-propyl]-3-hydroxy-2-methyl-benzamide
- IUPAC
- N-[(2S,3S)-4-[(4R)-5,5-dimethyl-4-pent-4-enoyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-hydroxy-2-methylbenzamide
Names & synonyms
SCHEMBL5216348NNZULKFQXQUMRP-GVXSCFBNSA-NN-[(1S,2S)-1-Benzyl-3-((R)-5,5-dimethyl-4-pent-4-enoyl-thiazolidin-3-yl)-2-hydroxy-3-oxo-propyl]-3-hydroxy-2-methyl-benzamideN-[(1S,2S)-1-benzyl-3-[(4R)-5,5-dimethyl-4-pent-4-enoyl-thiazolidin-3-yl]-2-hydroxy-3-oxo-propyl]-3-hydroxy-2-methyl-benzamideN-{(1S,2S)-1-Benzyl-3-[(4R)-5,5-dimethyl-4-pent-4-enoyl-1,3-thiazolidin-3-yl]-2-hydroxy-3-oxopropyl}-3-hydroxy-2-methylbenzamide
Database identifiers
- PubChem CID
- 514653
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 797
Related reactions
3 records
Compound notes
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