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CHEBI:45640 - 4-[(3aS,4R,7R,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-7-hydroxy-1,3-dioxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide

Default Structure
ChEBI IDCHEBI:45640
ChEBI Name4-[(3aS,4R,7R,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-7-hydroxy-1,3-dioxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide
Stars
DownloadsMolfile
FormulaC24H24N4O5
Net Charge0
Average Mass448.479
Monoisotopic Mass448.17467
SMILES[H]/N=C(\c1c([H])c([H])c([C@]2([H])N3C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]3([H])[C@]3([H])C(=O)N(C([H])([H])c4c([H])c([H])c5c(c4[H])OC([H])([H])O5)C(=O)[C@@]32[H])c([H])c1[H])N([H])[H]
InChIInChI=1S/C24H24N4O5/c25-22(26)14-4-2-13(3-5-14)21-20-19(16-8-15(29)10-27(16)21)23(30)28(24(20)31)9-12-1-6-17-18(7-12)33-11-32-17/h1-7,15-16,19-21,29H,8-11H2,(H3,25,26)/t15-,16+,19+,20+,21+/m1/s1
InChIKeyCETLUACQMGBMFH-ZALSBGIRSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(3aS,4R,7R,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-7-hydroxy-1,3-dioxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide (CHEBI:45640) is a unclassifieds (CHEBI:27189)
Synonym  Source
4-[(3aS,4R,7R,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-7-hydroxy-1,3-dioxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamidePDBeChem
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