(S)-3-Methyl-2-(1-oxo-6-(5-(5-phenylthiazole-2-carboxamido)pyridin-2-yl)isoindolin-2-yl)butanoic acid
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Basic information
- Standard SMILES
CC(C)[C@@H](C(=O)O)N1Cc2ccc(-c3ccc(NC(=O)c4ncc(-c5ccccc5)s4)cn3)cc2C1=O- InChIKey
JFHSCBMNNYKFIE-DEOSSOPVSA-N- Molecular formula
- C28H24N4O4S
- Average molar mass
- 512.6 g/mol
Names & identifiers
- Preferred name
- (S)-3-Methyl-2-(1-oxo-6-(5-(5-phenylthiazole-2-carboxamido)pyridin-2-yl)isoindolin-2-yl)butanoic acid
- IUPAC
- (2S)-3-methyl-2-[3-oxo-5-[5-[(5-phenyl-1,3-thiazole-2-carbonyl)amino]-2-pyridinyl]-1H-isoindol-2-yl]butanoic acid
Names & synonyms
SCHEMBL2180263JFHSCBMNNYKFIE-DEOSSOPVSA-N(S)-3-Methyl-2-(1-oxo-6-(5-(5-phenylthiazole-2-carboxamido)pyridin-2-yl)isoindolin-2-yl)butanoic acid
Database identifiers
- PubChem CID
- 67307166
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 850
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Related reactions
1 records
Compound notes
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