CHEBI:102619 - N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-4-methoxybenzenesulfonamide

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ChEBI Name N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-4-methoxybenzenesulfonamide
ChEBI ID CHEBI:102619
Stars This entity has been manually annotated by a third party.
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Formula C27H36N2O6S
Net Charge 0
Average Mass 516.652
Monoisotopic Mass 516.22941
InChI InChI=1S/C27H36N2O6S/c1-34-22-7-10-24(11-8-22)36(32,33)28-25-12-9-23(35-26(25)19-30)18-27(31)29-15-13-21(14-16-29)17-20-5-3-2-4-6-20/h2-8,10-11,21,23,25-26,28,30H,9,12-19H2,1H3/t23-,25+,26-/m0/s1
InChIKey JXWMWOXWMMUZLT-DMDYGQEQSA-N
SMILES COC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CC(=O)N3CCC(CC3)CC4=CC=CC=C4
ChEBI Ontology
Outgoing N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-4-methoxybenzenesulfonamide (CHEBI:102619) is a piperidines (CHEBI:26151)
Manual Xref Database
LSM-13966 LINCS
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