CHEBI:100878 - N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(2-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-methylbenzenesulfonamide

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ChEBI Name N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(2-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-methylbenzenesulfonamide
ChEBI ID CHEBI:100878
Stars This entity has been manually annotated by a third party.
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Formula C22H30N2O6S2
Net Charge 0
Average Mass 482.616
Monoisotopic Mass 482.15453
InChI InChI=1S/C22H30N2O6S2/c1-16-7-3-5-9-21(16)31(26,27)23-14-13-18-11-12-19(20(15-25)30-18)24-32(28,29)22-10-6-4-8-17(22)2/h3-10,18-20,23-25H,11-15H2,1-2H3/t18-,19-,20+/m0/s1
InChIKey NMMAJMJUDCVZMW-SLFFLAALSA-N
SMILES CC1=CC=CC=C1S(=O)(=O)NCC[C@@H]2CC[C@@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC=C3C
ChEBI Ontology
Outgoing N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(2-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-methylbenzenesulfonamide (CHEBI:100878) is a C-glycosyl compound (CHEBI:20857)
Manual Xref Database
LSM-12252 LINCS
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