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CHEBI:47400 - 4- [(1R,3aS,4R,8aS,8bR)- 2- (4-chlorobenzyl)- 1- isopropyl- 3- oxodecahydropyrrolo[3,4- a]pyrrolizin- 4- yl]benzenecarboximidamide

Default Structure
ChEBI IDCHEBI:47400
ChEBI Name4- [(1R,3aS,4R,8aS,8bR)- 2- (4-chlorobenzyl)- 1- isopropyl- 3- oxodecahydropyrrolo[3,4- a]pyrrolizin- 4- yl]benzenecarboximidamide
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DownloadsMolfile
FormulaC26H31ClN4O
Net Charge0
Average Mass451.014
Monoisotopic Mass450.21864
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(Cl)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/C26H31ClN4O/c1-15(2)23-21-20-4-3-13-30(20)24(17-7-9-18(10-8-17)25(28)29)22(21)26(32)31(23)14-16-5-11-19(27)12-6-16/h5-12,15,20-24H,3-4,13-14H2,1-2H3,(H3,28,29)/t20-,21-,22-,23+,24-/m0/s1
InChIKeyLVAIBFBNGXNDPW-NLPWIYRPSA-N
ChEBI Ontology
Outgoing Relation(s)
4- [(1R,3aS,4R,8aS,8bR)- 2- (4-chlorobenzyl)- 1- isopropyl- 3- oxodecahydropyrrolo[3,4- a]pyrrolizin- 4- yl]benzenecarboximidamide (CHEBI:47400) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-[(1R,3aS,4R,8aS,8bR)-2-(4-chlorobenzyl)-1-(1-methylethyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamidePDBeChem
4- [(1R,3aS,4R,8aS,8bR)- 2- (4-chlorobenzyl)- 1- isopropyl- 3- oxodecahydropyrrolo[3,4- a]pyrrolizin- 4- yl]benzenecarboximidamidePDBeChem
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