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CHEBI:39649 - 6-[4-((2R)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-METHYLQUINOLIN-8-YLPHOSPHONIC ACID

Default Structure
ChEBI IDCHEBI:39649
ChEBI Name6-[4-((2R)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-METHYLQUINOLIN-8-YLPHOSPHONIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC38H32F2N4O6P2
Net Charge0
Average Mass740.640
Monoisotopic Mass740.17651
SMILES[H]OP(=O)(O[H])c1c([H])c(-c2c([H])c([H])c(C([H])([H])[C@@](c3c([H])c([H])c([H])c([H])c3[H])(n3nnc4c([H])c([H])c([H])c([H])c43)C([H])([H])c3c([H])c([H])c(C(F)(F)P(=O)(O[H])O[H])c([H])c3[H])c([H])c2[H])c([H])c2c([H])c([H])c(C([H])([H])[H])nc12
InChIInChI=1S/C38H32F2N4O6P2/c1-25-11-16-29-21-30(22-35(36(29)41-25)51(45,46)47)28-17-12-26(13-18-28)23-37(31-7-3-2-4-8-31,44-34-10-6-5-9-33(34)42-43-44)24-27-14-19-32(20-15-27)38(39,40)52(48,49)50/h2-22H,23-24H2,1H3,(H2,45,46,47)(H2,48,49,50)/t37-/m1/s1
InChIKeySZXQFEXBARNEFM-DIPNUNPCSA-N
ChEBI Ontology
Outgoing Relation(s)
6-[4-((2R)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-METHYLQUINOLIN-8-YLPHOSPHONIC ACID (CHEBI:39649) is a unclassifieds (CHEBI:27189)
Synonyms  Source
6-[4-((2R)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-METHYLQUINOLIN-8-YLPHOSPHONIC ACIDPDBeChem
(6-{4-[(2R)-2-(1H-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl]phenyl}-2-methylquinolin-8-yl)phosphonic acidPDBeChem
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