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CHEBI:39885 - 4-[(1R,3aS,4R,8aS,8bR)-1-isopropyl-2-(4-methoxybenzyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide

Default Structure
ChEBI IDCHEBI:39885
ChEBI Name4-[(1R,3aS,4R,8aS,8bR)-1-isopropyl-2-(4-methoxybenzyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC27H34N4O2
Net Charge0
Average Mass446.595
Monoisotopic Mass446.26818
SMILES[H]/N=C(/c1c([H])c([H])c([C@]2([H])N3C([H])([H])C([H])([H])C([H])([H])[C@@]3([H])[C@@]3([H])[C@]2([H])C(=O)N(C([H])([H])c2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])[C@]3([H])C([H])(C([H])([H])[H])C([H])([H])[H])c([H])c1[H])N([H])[H]
InChIInChI=1S/C27H34N4O2/c1-16(2)24-22-21-5-4-14-30(21)25(18-8-10-19(11-9-18)26(28)29)23(22)27(32)31(24)15-17-6-12-20(33-3)13-7-17/h6-13,16,21-25H,4-5,14-15H2,1-3H3,(H3,28,29)/t21-,22-,23-,24+,25-/m0/s1
InChIKeyXETNTDPUFDNJKX-BDUWWWMKSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(1R,3aS,4R,8aS,8bR)-1-isopropyl-2-(4-methoxybenzyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide (CHEBI:39885) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-[(1R,3aS,4R,8aS,8bR)-1-isopropyl-2-(4-methoxybenzyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamidePDBeChem
4-[(1R,3aS,4R,8aS,8bR)-2-(4-methoxybenzyl)-1-(1-methylethyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamidePDBeChem
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