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CHEBI:46273 - (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ISOPROPYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE

Default Structure
ChEBI IDCHEBI:46273
ChEBI Name(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ISOPROPYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC27H32N4O3
Net Charge0
Average Mass460.578
Monoisotopic Mass460.24744
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])(C([H])([H])[H])C([H])([H])[H])c([H])c1[H])N([H])[H]
InChIInChI=1S/C27H32N4O3/c1-15(2)24-22-19-4-3-11-30(19)25(17-6-8-18(9-7-17)26(28)29)23(22)27(32)31(24)13-16-5-10-20-21(12-16)34-14-33-20/h5-10,12,15,19,22-25H,3-4,11,13-14H2,1-2H3,(H3,28,29)/t19-,22-,23-,24+,25-/m0/s1
InChIKeyTZROHICTGLJYJF-FTSNLURZSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ISOPROPYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE (CHEBI:46273) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ISOPROPYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINEPDBeChem
4-[(1R,3aS,4R,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylethyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamidePDBeChem
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