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CHEBI:128175 - (3S)-2-tert-butylsulfinyl-4-[3-[2-(3,4-dimethoxyphenyl)ethynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid

ChEBI IDCHEBI:128175
ChEBI Name(3S)-2-tert-butylsulfinyl-4-[3-[2-(3,4-dimethoxyphenyl)ethynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid
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FormulaC30H32N2O6S
Net Charge0
Average Mass548.661
Monoisotopic Mass548.19811
SMILESCOc1ccc(C#Cc2cccc(-c3nc(C(=O)O)cc4c3[C@H](CCO)N(S(=O)C(C)(C)C)C4)c2)cc1OC
InChIInChI=1S/C30H32N2O6S/c1-30(2,3)39(36)32-18-22-17-23(29(34)35)31-28(27(22)24(32)13-14-33)21-8-6-7-19(15-21)9-10-20-11-12-25(37-4)26(16-20)38-5/h6-8,11-12,15-17,24,33H,13-14,18H2,1-5H3,(H,34,35)/t24-,39?/m0/s1
InChIKeyUBSHRPQUMNLDIH-ONZSSFSLSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-tert-butylsulfinyl-4-[3-[2-(3,4-dimethoxyphenyl)ethynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid (CHEBI:128175) is a phenylpyridine (CHEBI:38193)
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