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CHEBI:102187 - (3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:102187
ChEBI Name(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC36H41N5O3S
Net Charge0
Average Mass623.823
Monoisotopic Mass623.29301
SMILESCC(C)(C)[S@](=O)N1Cc2cc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)nc(-c3cccc(-c4cccnc4)c3)c2[C@@H]1CCO
InChIInChI=1S/C36H41N5O3S/c1-36(2,3)45(44)41-23-29-20-31(35(43)38-30-14-17-40(24-30)22-25-9-5-4-6-10-25)39-34(33(29)32(41)15-18-42)27-12-7-11-26(19-27)28-13-8-16-37-21-28/h4-13,16,19-21,30,32,42H,14-15,17-18,22-24H2,1-3H3,(H,38,43)/t30-,32+,45+/m1/s1
InChIKeyOXCAKDYULKMTMJ-AECJBDNTSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:102187) is a phenylpyridine (CHEBI:38193)
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