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CHEBI:99074 - (2S,3S,3aR,9bR)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-N-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1-carboxamide

ChEBI IDCHEBI:99074
ChEBI Name(2S,3S,3aR,9bR)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-N-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1-carboxamide
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DownloadsMolfile
FormulaC25H30N4O4
Net Charge0
Average Mass450.539
Monoisotopic Mass450.22671
SMILESCC(C)NC(=O)N1[C@H](C(=O)N2CCc3ccccc3C2)[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]21
InChIInChI=1S/C25H30N4O4/c1-15(2)26-25(33)29-22-18(13-28-20(22)8-5-9-21(28)31)19(14-30)23(29)24(32)27-11-10-16-6-3-4-7-17(16)12-27/h3-9,15,18-19,22-23,30H,10-14H2,1-2H3,(H,26,33)/t18-,19-,22+,23-/m0/s1
InChIKeyGPOFJZHTSDGPCB-LBVMUVSTSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-N-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1-carboxamide (CHEBI:99074) is a amino acid amide (CHEBI:22475)
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