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CHEBI:39495 - (4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-[4-(METHOXYCARBONYL)PHENYL]-5-PHENYLPENT-4-ENYL}PHENYL)(DIFLUORO)METHYLPHOSPHONIC ACID

Default Structure
ChEBI IDCHEBI:39495
ChEBI Name(4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-[4-(METHOXYCARBONYL)PHENYL]-5-PHENYLPENT-4-ENYL}PHENYL)(DIFLUORO)METHYLPHOSPHONIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC32H28F2N3O5P
Net Charge0
Average Mass603.562
Monoisotopic Mass603.17346
SMILES[H]OP(=O)(O[H])C(F)(F)c1c([H])c([H])c(C([H])([H])[C@](c2c([H])c([H])c(C(=O)OC([H])([H])[H])c([H])c2[H])(n2nnc3c([H])c([H])c([H])c([H])c32)C([H])([H])/C([H])=C(\[H])c2c([H])c([H])c([H])c([H])c2[H])c([H])c1[H]
InChIInChI=1S/C32H28F2N3O5P/c1-42-30(38)25-15-19-26(20-16-25)31(21-7-10-23-8-3-2-4-9-23,37-29-12-6-5-11-28(29)35-36-37)22-24-13-17-27(18-14-24)32(33,34)43(39,40)41/h2-20H,21-22H2,1H3,(H2,39,40,41)/b10-7+/t31-/m1/s1
InChIKeyGWWTUJWRRCTCSI-AOCUTKQBSA-N
ChEBI Ontology
Outgoing Relation(s)
(4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-[4-(METHOXYCARBONYL)PHENYL]-5-PHENYLPENT-4-ENYL}PHENYL)(DIFLUORO)METHYLPHOSPHONIC ACID (CHEBI:39495) is a unclassifieds (CHEBI:27189)
Synonyms  Source
[(4-{(2R,4E)-2-(1H-benzotriazol-1-yl)-2-[4-(methoxycarbonyl)phenyl]-5-phenylpent-4-en-1-yl}phenyl)(difluoro)methyl]phosphonic acidPDBeChem
(4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-[4-(METHOXYCARBONYL)PHENYL]-5-PHENYLPENT-4-ENYL}PHENYL)(DIFLUORO)METHYLPHOSPHONIC ACIDPDBeChem
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