CHEBI:101582 - N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-1-phenylmethanesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
ChEBI ID CHEBI:101582
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H30N4O5S
Net Charge 0
Average Mass 486.586
Monoisotopic Mass 486.19369
InChI InChI=1S/C24H30N4O5S/c1-32-21-9-5-8-19(14-21)23-15-28(27-25-23)13-12-20-10-11-22(24(16-29)33-20)26-34(30,31)17-18-6-3-2-4-7-18/h2-9,14-15,20,22,24,26,29H,10-13,16-17H2,1H3/t20-,22+,24-/m1/s1
InChIKey LQIYJTVMCFCXBS-JCTONOIOSA-N
SMILES COC1=CC=CC(=C1)C2=CN(N=N2)CC[C@H]3CC[C@@H]([C@H](O3)CO)NS(=O)(=O)CC4=CC=CC=C4
ChEBI Ontology
Outgoing N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-1-phenylmethanesulfonamide (CHEBI:101582) is a C-glycosyl compound (CHEBI:20857)
Manual Xref Database
LSM-12945 LINCS
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