CHEBI:129648 - [(3aR,4S,9bR)-1-(2-methylphenyl)sulfonyl-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

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ChEBI Name [(3aR,4S,9bR)-1-(2-methylphenyl)sulfonyl-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol ChEBI ID CHEBI:129648 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H26N2O3S Net Charge 0 Average Mass 458.574 Monoisotopic Mass 458.16641 InChI InChI=1S/C27H26N2O3S/c1-19-7-5-6-10-26(19)33(31,32)29-16-15-22-25(18-30)28-24-14-13-21(17-23(24)27(22)29)12-11-20-8-3-2-4-9-20/h2-10,13-14,17,22,25,27-28,30H,15-16,18H2,1H3/t22-,25-,27-/m1/s1 InChIKey KDGAGFWVUZIURT-AVPJRLCVSA-N SMILES CC1=CC=CC=C1S(=O)(=O)N2CC[C@H]3[C@@H]2C4=C(C=CC(=C4)C#CC5=CC=CC=C5)N[C@@H]3CO ChEBI Ontology Outgoing [(3aR,4S,9bR)-1-(2-methylphenyl)sulfonyl-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:129648) is a pyrroloquinoline (CHEBI:50918) Manual Xref Database LSM-41199 LINCS View more database links