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CHEBI:45492 - (2E,3S)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'H)-one

ChEBI IDCHEBI:45492
ChEBI Name(2E,3S)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'H)-one
Stars
ASCII Name(2E,3S)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'H)-one
Last Modified16 May 2008
DownloadsMolfile
FormulaC22H23N3O5S
Net Charge0
Average Mass441.509
Monoisotopic Mass441.13584
SMILES[H]OC1([H])C([H])([H])C([H])([H])N(S(=O)(=O)c2c([H])c([H])c3c(c2[H])/C(=C2/N([H])c4c([H])c([H])c([H])c([H])c4[C@@]2(O[H])C([H])([H])[H])C(=O)N3[H])C([H])([H])C1([H])[H]
InChIInChI=1S/C22H23N3O5S/c1-22(28)16-4-2-3-5-18(16)23-20(22)19-15-12-14(6-7-17(15)24-21(19)27)31(29,30)25-10-8-13(26)9-11-25/h2-7,12-13,23,26,28H,8-11H2,1H3,(H,24,27)/b20-19-/t22-/m0/s1
InChIKeyAYOAIABDFUJDKQ-SQJPUDIVSA-N
ChEBI Ontology
Outgoing Relation(s)
(2E,3S)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'H)-one (CHEBI:45492) is a N-acylpiperidine (CHEBI:48591)
(2E,3S)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'H)-one (CHEBI:45492) is a biindole (CHEBI:48594)
(2E,3S)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'H)-one (CHEBI:45492) is a hydroxypiperidine (CHEBI:48590)
Synonyms  Source
(2E,3S)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'H)-onePDBeChem
(2Z,3S)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'H)-onePDBeChem
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