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CHEBI:40158 - 6-[4-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-[(1S)-1-METHOXY-3-METHYLBUTYL]QUINOLIN-8-YLPHOSPHONIC ACID

Default Structure
ChEBI IDCHEBI:40158
ChEBI Name6-[4-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-[(1S)-1-METHOXY-3-METHYLBUTYL]QUINOLIN-8-YLPHOSPHONIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC43H42F2N4O7P2
Net Charge0
Average Mass826.774
Monoisotopic Mass826.24968
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])(OC([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])nc12
InChIInChI=1S/C43H42F2N4O7P2/c1-28(2)23-39(56-3)37-22-19-32-24-33(25-40(41(32)46-37)57(50,51)52)31-17-13-29(14-18-31)26-42(34-9-5-4-6-10-34,49-38-12-8-7-11-36(38)47-48-49)27-30-15-20-35(21-16-30)43(44,45)58(53,54)55/h4-22,24-25,28,39H,23,26-27H2,1-3H3,(H2,50,51,52)(H2,53,54,55)/t39-,42+/m0/s1
InChIKeyUSHZWXCUJLENMD-KWLHKINFSA-N
ChEBI Ontology
Outgoing Relation(s)
6-[4-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-[(1S)-1-METHOXY-3-METHYLBUTYL]QUINOLIN-8-YLPHOSPHONIC ACID (CHEBI:40158) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(6-{4-[(2R)-2-(1H-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl]phenyl}-2-[(1S)-1-methoxy-3-methylbutyl]quinolin-8-yl)phosphonic acidPDBeChem
6-[4-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-[(1S)-1-METHOXY-3-METHYLBUTYL]QUINOLIN-8-YLPHOSPHONIC ACIDPDBeChem
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