Basic information
- Standard SMILES
Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc3[nH]ccc23)CSC1(C)C- InChIKey
WCECCKBYIFABJL-YTCPBCGMSA-N- Molecular formula
- C33H36N4O4S
- Average molar mass
- 584.7 g/mol
Names & identifiers
- Preferred name
- (4R)-3-[(2S,3S)-2-hydroxy-3-(1H-indole-4-carbonylamino)-4-phenyl-butanoyl]-5,5-dimethyl-N-(o-tolylmethyl)thiazolidine-4-carboxamide
- IUPAC
- (4R)-3-[(2S,3S)-2-hydroxy-3-(1H-indole-4-carbonylamino)-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
Names & synonyms
SCHEMBL14578556WCECCKBYIFABJL-YTCPBCGMSA-N(4R)-3-[(2S,3S)-2-hydroxy-3-(1H-indole-4-carbonylamino)-4-phenyl-butanoyl]-5,5-dimethyl-N-(o-tolylmethyl)thiazolidine-4-carboxamide1H-Indole-4-carboxylic acid {(1S,2S)-1-benzyl-3-[(R)-5,5-dimethyl-4-(2-methyl-benzylcarbamoyl)-thiazolidin-3-yl]-2-hydroxy-3-oxo-propyl}-amideN-[(1S,2S)-1-Benzyl-3-((4R)-5,5-dimethyl-4-{[(2-methylbenzyl)amino]carbonyl}-1,3-thiazolidin-3-yl)-2-hydroxy-3-oxopropyl]-1H-indole-4-carboxamide
Database identifiers
- PubChem CID
- 514529
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 956
Related reactions
2 records
Compound notes
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