CHEBI:103037 - N-[(2S,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-methylbenzenesulfonamide

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ChEBI Name N-[(2S,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-methylbenzenesulfonamide
ChEBI ID CHEBI:103037
Stars This entity has been manually annotated by a third party.
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Formula C24H30N2O5S
Net Charge 0
Average Mass 458.572
Monoisotopic Mass 458.18754
InChI InChI=1S/C24H30N2O5S/c1-17-6-9-21(10-7-17)32(29,30)25-22-11-8-20(31-23(22)16-27)14-24(28)26-13-12-18-4-2-3-5-19(18)15-26/h2-7,9-10,20,22-23,25,27H,8,11-16H2,1H3/t20-,22-,23-/m1/s1
InChIKey YSHLOQAWMNLOEI-YMPZKCBVSA-N
SMILES CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CC(=O)N3CCC4=CC=CC=C4C3
ChEBI Ontology
Outgoing N-[(2S,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-methylbenzenesulfonamide (CHEBI:103037) is a C-glycosyl compound (CHEBI:20857)
Manual Xref Database
LSM-14383 LINCS
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