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CHEBI:125171 - 4-[(3S,6R,7S,8aS)-7-[[(4-fluorophenyl)methylamino]-oxomethyl]-6-[3-(2-hydroxyethoxy)phenyl]-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]butyl-trimethylammonium

ChEBI IDCHEBI:125171
ChEBI Name4-[(3S,6R,7S,8aS)-7-[[(4-fluorophenyl)methylamino]-oxomethyl]-6-[3-(2-hydroxyethoxy)phenyl]-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]butyl-trimethylammonium
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DownloadsMolfile
FormulaC30H40FN4O5
Net Charge+1
Average Mass555.671
Monoisotopic Mass555.29773
SMILESC[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@H](C(=O)NCc3ccc(F)cc3)[C@H](c3cccc(OCCO)c3)N2C1=O
InChIInChI=1S/C30H39FN4O5/c1-35(2,3)14-5-4-9-25-30(39)34-26(29(38)33-25)18-24(28(37)32-19-20-10-12-22(31)13-11-20)27(34)21-7-6-8-23(17-21)40-16-15-36/h6-8,10-13,17,24-27,36H,4-5,9,14-16,18-19H2,1-3H3,(H-,32,33,37,38)/p+1/t24-,25-,26-,27-/m0/s1
InChIKeyOTTWGPCKOVYEPD-FWEHEUNISA-O
ChEBI Ontology
Outgoing Relation(s)
4-[(3S,6R,7S,8aS)-7-[[(4-fluorophenyl)methylamino]-oxomethyl]-6-[3-(2-hydroxyethoxy)phenyl]-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]butyl-trimethylammonium (CHEBI:125171) is a pyrrolidines (CHEBI:38260)
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