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CHEBI:101207 - (3S)-2-[(S)-tert-butylsulfinyl]-N-cyclobutyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:101207
ChEBI Name(3S)-2-[(S)-tert-butylsulfinyl]-N-cyclobutyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC33H40N4O4S
Net Charge0
Average Mass588.774
Monoisotopic Mass588.27703
SMILESCN(C)C(=O)c1ccc(-c2cccc(-c3nc(C(=O)NC4CCC4)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)cc1
InChIInChI=1S/C33H40N4O4S/c1-33(2,3)42(41)37-20-25-19-27(31(39)34-26-10-7-11-26)35-30(29(25)28(37)16-17-38)24-9-6-8-23(18-24)21-12-14-22(15-13-21)32(40)36(4)5/h6,8-9,12-15,18-19,26,28,38H,7,10-11,16-17,20H2,1-5H3,(H,34,39)/t28-,42-/m0/s1
InChIKeyXRIKJANOQKUWJP-PJVIOAIDSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-[(S)-tert-butylsulfinyl]-N-cyclobutyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:101207) is a biphenyls (CHEBI:22888)
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