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CHEBI:42520 - N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE

Default Structure
ChEBI IDCHEBI:42520
ChEBI NameN'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC32H38F2IN3O3
Net Charge0
Average Mass677.574
Monoisotopic Mass677.19260
SMILES[H]O[C@]([H])(C([H])([H])N([H])C([H])([H])c1c([H])c([H])c([H])c(I)c1[H])[C@@]([H])(N([H])C(=O)c1c([H])c(C(=O)N(C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])c([H])c(C([H])([H])[H])c1[H])C([H])([H])c1c([H])c(F)c([H])c(F)c1[H]
InChIInChI=1S/C32H38F2IN3O3/c1-4-9-38(10-5-2)32(41)25-12-21(3)11-24(17-25)31(40)37-29(16-23-13-26(33)18-27(34)14-23)30(39)20-36-19-22-7-6-8-28(35)15-22/h6-8,11-15,17-18,29-30,36,39H,4-5,9-10,16,19-20H2,1-3H3,(H,37,40)/t29-,30+/m0/s1
InChIKeyFSQSHDXWJKXBPP-XZWHSSHBSA-N
ChEBI Ontology
Outgoing Relation(s)
N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE (CHEBI:42520) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N'-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamidePDBeChem
N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDEPDBeChem
Manual XrefsDatabases
F2IPDBeChem