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CHEBI:46317 - (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ETHYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE

Default Structure
ChEBI IDCHEBI:46317
ChEBI Name(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ETHYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC26H30N4O3
Net Charge0
Average Mass446.551
Monoisotopic Mass446.23179
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])c4c(c2[H])OC([H])([H])O4)[C@]3([H])C([H])([H])C([H])([H])[H])c([H])c1[H])N([H])[H]
InChIInChI=1S/C26H30N4O3/c1-2-18-22-19-4-3-11-29(19)24(16-6-8-17(9-7-16)25(27)28)23(22)26(31)30(18)13-15-5-10-20-21(12-15)33-14-32-20/h5-10,12,18-19,22-24H,2-4,11,13-14H2,1H3,(H3,27,28)/t18-,19+,22+,23+,24+/m1/s1
InChIKeyRCAUWWFTOCHSJH-KEXZDOINSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ETHYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE (CHEBI:46317) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ETHYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINEPDBeChem
4-[(1R,3aS,4R,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamidePDBeChem
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