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CHEBI:39814 - (2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]-1-HEPTYLUREIDO)ETHYL]PHENOXY)-2-METHYLBUTYRIC ACID

Default Structure
ChEBI IDCHEBI:39814
ChEBI Name(2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]-1-HEPTYLUREIDO)ETHYL]PHENOXY)-2-METHYLBUTYRIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC27H36F2N2O4
Net Charge0
Average Mass490.591
Monoisotopic Mass490.26431
SMILES[H]OC(=O)[C@](Oc1c([H])c([H])c(C([H])([H])C([H])([H])N(C(=O)N([H])c2c([H])c([H])c(F)c([H])c2F)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])c([H])c1[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]
InChIInChI=1S/C27H36F2N2O4/c1-4-6-7-8-9-17-31(26(34)30-24-15-12-21(28)19-23(24)29)18-16-20-10-13-22(14-11-20)35-27(3,5-2)25(32)33/h10-15,19H,4-9,16-18H2,1-3H3,(H,30,34)(H,32,33)/t27-/m0/s1
InChIKeyVGSJXSLGVQINOL-MHZLTWQESA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]-1-HEPTYLUREIDO)ETHYL]PHENOXY)-2-METHYLBUTYRIC ACID (CHEBI:39814) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S)-2-[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)amino}ethyl)phenoxy]-2-methylbutanoic acidPDBeChem
(2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]-1-HEPTYLUREIDO)ETHYL]PHENOXY)-2-METHYLBUTYRIC ACIDPDBeChem
Manual XrefsDatabases
331PDBeChem