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CHEBI:42289 - N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]-[2-(HEXAHYDRO-BENZO[1,3]DIOXOL-5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)-4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE

Default Structure
ChEBI IDCHEBI:42289
ChEBI NameN-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]-[2-(HEXAHYDRO-BENZO[1,3]DIOXOL-5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)-4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC46H51N3O10
Net Charge0
Average Mass805.925
Monoisotopic Mass805.35744
SMILES[H]O[C@@]([H])(C([H])([H])N(C(=O)C([H])([H])C([H])([H])N1C(=O)c2c([H])c([H])c([H])c([H])c2C1=O)C([H])([H])C([H])([H])[C@]1([H])C([H])([H])C([H])([H])[C@]2([H])OC([H])([H])O[C@]2([H])C1([H])[H])[C@@]([H])(N([H])C(=O)c1c([H])c(OC([H])([H])[H])c(OC([H])([H])c2c([H])c([H])c([H])c([H])c2[H])c(OC([H])([H])[H])c1[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]
InChIInChI=1S/C46H51N3O10/c1-55-40-25-33(26-41(56-2)43(40)57-28-32-13-7-4-8-14-32)44(52)47-36(23-30-11-5-3-6-12-30)37(50)27-48(21-19-31-17-18-38-39(24-31)59-29-58-38)42(51)20-22-49-45(53)34-15-9-10-16-35(34)46(49)54/h3-16,25-26,31,36-39,50H,17-24,27-29H2,1-2H3,(H,47,52)/t31-,36-,37-,38-,39+/m0/s1
InChIKeyPJQGNNQTZMYXOB-MOQWPDJPSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]-[2-(HEXAHYDRO-BENZO[1,3]DIOXOL-5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)-4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE (CHEBI:42289) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]-[2-(HEXAHYDRO-BENZO[1,3]DIOXOL-5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)-4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDEPDBeChem
N-[(1S,2S)-1-benzyl-3-([3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]{2-[(3aR,5S,7aS)-hexahydro-1,3-benzodioxol-5-yl]ethyl}amino)-2-hydroxypropyl]-4-(benzyloxy)-3,5-dimethoxybenzamidePDBeChem
Manual XrefsDatabases
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