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CHEBI:128434 - (3aS,4R,9bR)-4-(hydroxymethyl)-5-methyl-8-(2-phenylethynyl)-N-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

ChEBI IDCHEBI:128434
ChEBI Name(3aS,4R,9bR)-4-(hydroxymethyl)-5-methyl-8-(2-phenylethynyl)-N-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
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DownloadsMolfile
FormulaC25H29N3O2
Net Charge0
Average Mass403.526
Monoisotopic Mass403.22598
SMILESCC(C)NC(=O)N1CC[C@H]2[C@@H]1c1cc(C#Cc3ccccc3)ccc1N(C)[C@H]2CO
InChIInChI=1S/C25H29N3O2/c1-17(2)26-25(30)28-14-13-20-23(16-29)27(3)22-12-11-19(15-21(22)24(20)28)10-9-18-7-5-4-6-8-18/h4-8,11-12,15,17,20,23-24,29H,13-14,16H2,1-3H3,(H,26,30)/t20-,23+,24-/m1/s1
InChIKeyFDVZFLCRZHUNTC-FGCOXFRFSA-N
ChEBI Ontology
Outgoing Relation(s)
(3aS,4R,9bR)-4-(hydroxymethyl)-5-methyl-8-(2-phenylethynyl)-N-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide (CHEBI:128434) is a pyrroloquinoline (CHEBI:50918)
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