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CHEBI:102276 - (3S)-2-tert-butylsulfinyl-4-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid

ChEBI IDCHEBI:102276
ChEBI Name(3S)-2-tert-butylsulfinyl-4-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid
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DownloadsMolfile
FormulaC25H31N3O4S
Net Charge0
Average Mass469.607
Monoisotopic Mass469.20353
SMILESCN(C)CC#Cc1cccc(-c2nc(C(=O)O)cc3c2[C@H](CCO)N(S(=O)C(C)(C)C)C3)c1
InChIInChI=1S/C25H31N3O4S/c1-25(2,3)33(32)28-16-19-15-20(24(30)31)26-23(22(19)21(28)11-13-29)18-10-6-8-17(14-18)9-7-12-27(4)5/h6,8,10,14-15,21,29H,11-13,16H2,1-5H3,(H,30,31)/t21-,33?/m0/s1
InChIKeyDIAWSVIFYKTHOJ-KEDGCLKXSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-tert-butylsulfinyl-4-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid (CHEBI:102276) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-13629LINCS