CHEBI:106299 - N-[[(2R,3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(2R,3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
ChEBI ID CHEBI:106299
Stars This entity has been manually annotated by a third party.
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Formula C26H33N3O6S
Net Charge 0
Average Mass 515.624
Monoisotopic Mass 515.20901
InChI InChI=1S/C26H33N3O6S/c1-18-15-29(19(2)17-30)25(31)22-13-20(11-12-26(3,4)32)14-27-24(22)35-23(18)16-28(5)36(33,34)21-9-7-6-8-10-21/h6-10,13-14,18-19,23,30,32H,15-17H2,1-5H3/t18-,19+,23-/m0/s1
InChIKey JYGQURHRKDJHQY-YYDVJCTNSA-N
SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC(C)(C)O)O[C@H]1CN(C)S(=O)(=O)C3=CC=CC=C3)[C@H](C)CO
ChEBI Ontology
Outgoing N-[[(2R,3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide (CHEBI:106299) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-17660 LINCS
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