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CHEBI:46314 - (1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3]DIOXOL-5-YLMETHYL)-4-ETHYL-2,3,3-TRIMETHYL-6-OXO-OCTAHYDRO-PYRROLO[3,4-C]PYRROL-1-YL}-BENZAMIDINE

Default Structure
ChEBI IDCHEBI:46314
ChEBI Name(1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3]DIOXOL-5-YLMETHYL)-4-ETHYL-2,3,3-TRIMETHYL-6-OXO-OCTAHYDRO-PYRROLO[3,4-C]PYRROL-1-YL}-BENZAMIDINE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC26H32N4O3
Net Charge0
Average Mass448.567
Monoisotopic Mass448.24744
SMILES[H]/N=C(/c1c([H])c([H])c([C@]2([H])N(C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[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/C26H32N4O3/c1-5-18-22-21(25(31)30(18)13-15-6-11-19-20(12-15)33-14-32-19)23(29(4)26(22,2)3)16-7-9-17(10-8-16)24(27)28/h6-12,18,21-23H,5,13-14H2,1-4H3,(H3,27,28)/t18-,21+,22-,23+/m1/s1
InChIKeyHQVPEQYGMUJQHM-MSYGRNIXSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3]DIOXOL-5-YLMETHYL)-4-ETHYL-2,3,3-TRIMETHYL-6-OXO-OCTAHYDRO-PYRROLO[3,4-C]PYRROL-1-YL}-BENZAMIDINE (CHEBI:46314) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3]DIOXOL-5-YLMETHYL)-4-ETHYL-2,3,3-TRIMETHYL-6-OXO-OCTAHYDRO-PYRROLO[3,4-C]PYRROL-1-YL}-BENZAMIDINEPDBeChem
4-[(1R,3aS,4R,6aS)-5-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-2,3,3-trimethyl-6-oxooctahydropyrrolo[3,4-c]pyrrol-1-yl]benzenecarboximidamidePDBeChem
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