CHEBI:96188 - N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-[2-(2-methoxyphenyl)ethynyl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-[2-(2-methoxyphenyl)ethynyl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
ChEBI ID CHEBI:96188
Stars This entity has been manually annotated by a third party.
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Formula C28H33N5O6S
Net Charge 0
Average Mass 567.659
Monoisotopic Mass 567.21515
InChI InChI=1S/C28H33N5O6S/c1-19-14-33(20(2)17-34)28(35)23-12-21(10-11-22-8-6-7-9-24(22)38-5)13-29-27(23)39-25(19)15-32(4)40(36,37)26-16-31(3)18-30-26/h6-9,12-13,16,18-20,25,34H,14-15,17H2,1-5H3/t19-,20+,25-/m0/s1
InChIKey RZEXHRSKTOKTQU-DFIYOIEZSA-N
SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC=CC=C3OC)O[C@H]1CN(C)S(=O)(=O)C4=CN(C=N4)C)[C@H](C)CO
ChEBI Ontology
Outgoing N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-[2-(2-methoxyphenyl)ethynyl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide (CHEBI:96188) is a methoxybenzenes (CHEBI:51683)
Manual Xref Database
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