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CHEBI:100398 - (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-N-(phenylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:100398
ChEBI Name(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-N-(phenylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC36H40N4O4S
Net Charge0
Average Mass624.807
Monoisotopic Mass624.27703
SMILESCN(C)C(=O)c1ccc(-c2cccc(-c3nc(C(=O)NCc4ccccc4)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)cc1
InChIInChI=1S/C36H40N4O4S/c1-36(2,3)45(44)40-23-29-21-30(34(42)37-22-24-10-7-6-8-11-24)38-33(32(29)31(40)18-19-41)28-13-9-12-27(20-28)25-14-16-26(17-15-25)35(43)39(4)5/h6-17,20-21,31,41H,18-19,22-23H2,1-5H3,(H,37,42)/t31-,45-/m0/s1
InChIKeyWJAYFAVILWHXQO-LPCUMCRCSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-N-(phenylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:100398) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
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