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CHEBI:45434 - 3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-5-PHENYL-PENTYL}-BENZAMIDE

Default Structure
ChEBI IDCHEBI:45434
ChEBI Name3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-5-PHENYL-PENTYL}-BENZAMIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC32H41N3O4
Net Charge0
Average Mass531.697
Monoisotopic Mass531.30971
SMILES[H]O[C@@]([H])(C([H])([H])[C@@]([H])(N([H])C(=O)c1c([H])c([H])c(N([H])[H])c([H])c1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(N([H])C(=O)C([H])([H])Oc1c(C([H])([H])[H])c([H])c([H])c([H])c1C([H])([H])[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]
InChIInChI=1S/C32H41N3O4/c1-21(2)17-27(34-32(38)25-13-15-26(33)16-14-25)19-29(36)28(18-24-11-6-5-7-12-24)35-30(37)20-39-31-22(3)9-8-10-23(31)4/h5-16,21,27-29,36H,17-20,33H2,1-4H3,(H,34,38)(H,35,37)/t27-,28-,29-/m0/s1
InChIKeyAPJAEXGNDLFGPD-AWCRTANDSA-N
ChEBI Ontology
Outgoing Relation(s)
3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-5-PHENYL-PENTYL}-BENZAMIDE (CHEBI:45434) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-5-PHENYL-PENTYL}-BENZAMIDEPDBeChem
4-amino-N-[(1S,3S,4S)-4-{[(2,6-dimethylphenoxy)acetyl]amino}-3-hydroxy-1-(2-methylpropyl)-5-phenylpentyl]benzamidePDBeChem
Manual XrefsDatabases
R37PDBeChem