CHEBI:95481 - N-[[(2R,3S)-8-(3-hydroxyhex-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,4-dimethylbenzenesulfonamide

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ChEBI Name N-[[(2R,3S)-8-(3-hydroxyhex-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,4-dimethylbenzenesulfonamide
ChEBI ID CHEBI:95481
Stars This entity has been manually annotated by a third party.
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Formula C28H37N3O6S
Net Charge 0
Average Mass 543.677
Monoisotopic Mass 543.24031
InChI InChI=1S/C28H37N3O6S/c1-6-7-23(33)11-10-22-14-25-27(29-15-22)37-26(20(3)16-31(28(25)34)21(4)18-32)17-30(5)38(35,36)24-12-8-19(2)9-13-24/h8-9,12-15,20-21,23,26,32-33H,6-7,16-18H2,1-5H3/t20-,21+,23?,26-/m0/s1
InChIKey CGTVCXLGQUHMAP-GHLWETIGSA-N
SMILES CCCC(C#CC1=CC2=C(N=C1)O[C@H]([C@H](CN(C2=O)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)C)O
ChEBI Ontology
Outgoing N-[[(2R,3S)-8-(3-hydroxyhex-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,4-dimethylbenzenesulfonamide (CHEBI:95481) is a sulfonamide (CHEBI:35358)
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