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CHEBI:39657 - 4'-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)-1,1'-BIPHENYL-3-YLPHOSPHONIC ACID

Default Structure
ChEBI IDCHEBI:39657
ChEBI Name4'-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)-1,1'-BIPHENYL-3-YLPHOSPHONIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC34H29F2N3O6P2
Net Charge0
Average Mass675.565
Monoisotopic Mass675.14997
SMILES[H]OP(=O)(O[H])c1c([H])c([H])c([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])c1[H]
InChIInChI=1S/C34H29F2N3O6P2/c35-34(36,47(43,44)45)29-19-15-25(16-20-29)23-33(28-8-2-1-3-9-28,39-32-12-5-4-11-31(32)37-38-39)22-24-13-17-26(18-14-24)27-7-6-10-30(21-27)46(40,41)42/h1-21H,22-23H2,(H2,40,41,42)(H2,43,44,45)/t33-/m1/s1
InChIKeyDIRCLNUEXQQLRT-MGBGTMOVSA-N
ChEBI Ontology
Outgoing Relation(s)
4'-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)-1,1'-BIPHENYL-3-YLPHOSPHONIC ACID (CHEBI:39657) is a unclassifieds (CHEBI:27189)
Synonyms  Source
{4'-[(2R)-2-(1H-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl]biphenyl-3-yl}phosphonic acidPDBeChem
4'-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)-1,1'-BIPHENYL-3-YLPHOSPHONIC ACIDPDBeChem
Manual XrefsDatabases
213PDBeChem