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CHEBI:101661 - (3R)-2-tert-butylsulfinyl-4-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid ethyl ester

ChEBI IDCHEBI:101661
ChEBI Name(3R)-2-tert-butylsulfinyl-4-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid ethyl ester
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DownloadsMolfile
FormulaC27H35N3O4S
Net Charge0
Average Mass497.661
Monoisotopic Mass497.23483
SMILESCCOC(=O)c1cc2c(c(-c3cccc(C#CCN(C)C)c3)n1)[C@@H](CCO)N(S(=O)C(C)(C)C)C2
InChIInChI=1S/C27H35N3O4S/c1-7-34-26(32)22-17-21-18-30(35(33)27(2,3)4)23(13-15-31)24(21)25(28-22)20-12-8-10-19(16-20)11-9-14-29(5)6/h8,10,12,16-17,23,31H,7,13-15,18H2,1-6H3/t23-,35?/m1/s1
InChIKeyGWVPGXSETGAAGJ-MMHRDOBHSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R)-2-tert-butylsulfinyl-4-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid ethyl ester (CHEBI:101661) is a phenylpyridine (CHEBI:38193)
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