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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1C[C@@H](c2ccc(-c3nc4ccc(C5(c6ccccc6)CC5)nc4s3)c(F)c2)C[C@H]1C(=O)O- InChIKey
BKIDMRWHFVUYOA-CYFREDJKSA-N- Molecular formula
- C31H30FN3O4S
- Average molar mass
- 559.7 g/mol
- Monoisotopic mass
- 559.19410578
Names & identifiers
- Preferred name
- (2S,4R)-1-(tert-butoxycarbonyl)-4-(3-fluoro-4-(5-(1-phenyl-cyclopropyl)-thiazolo[5,4-b]pyridine-2-yl)phenyl)pyrrolidine-2-carboxylic acid
- IUPAC
- (2S,4R)-4-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Names & synonyms
SCHEMBL1664123BKIDMRWHFVUYOA-CYFREDJKSA-N(2S,4R)-1-(tert-butoxycarbonyl)-4-(3-fluoro-4-(5-(1-phenyl-cyclopropyl)-thiazolo[5,4-b]pyridine-2-yl)phenyl)pyrrolidine-2-carboxylic acid(2S,4R)-1-(tert-butoxycarbonyl)-4-(3-fluoro-4-(5-(1-phenylcyclopropyl)thiazolo-[5,4-b]pyridine-2-yl)phenyl)pyrrolidine-2-carboxylic acid
Database identifiers
- PubChem CID
- 67112876
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 951
Related reactions
2 records
Compound notes
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