CHEBI:119714 - N-[[(2R,3R)-8-(1-cyclohexenyl)-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,1-dimethyl-4-imidazolesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(2R,3R)-8-(1-cyclohexenyl)-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,1-dimethyl-4-imidazolesulfonamide
ChEBI ID CHEBI:119714
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H35N5O5S
Net Charge 0
Average Mass 517.643
Monoisotopic Mass 517.23589
InChI InChI=1S/C25H35N5O5S/c1-17-12-30(18(2)15-31)25(32)21-10-20(19-8-6-5-7-9-19)11-26-24(21)35-22(17)13-29(4)36(33,34)23-14-28(3)16-27-23/h8,10-11,14,16-18,22,31H,5-7,9,12-13,15H2,1-4H3/t17-,18-,22+/m1/s1
InChIKey LKPBUWUQVMPFSV-HMFYCAOWSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CCCCC3)O[C@H]1CN(C)S(=O)(=O)C4=CN(C=N4)C)[C@H](C)CO
ChEBI Ontology
Outgoing N-[[(2R,3R)-8-(1-cyclohexenyl)-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,1-dimethyl-4-imidazolesulfonamide (CHEBI:119714) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-31158 LINCS
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