CHEBI:110110 - N-[[(2R,3S)-8-(2-benzofuranyl)-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,3S)-8-(2-benzofuranyl)-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:110110
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H31N5O6S
Net Charge 0
Average Mass 553.632
Monoisotopic Mass 553.19950
InChI InChI=1S/C27H31N5O6S/c1-17-12-32(18(2)15-33)27(34)21-9-20(23-10-19-7-5-6-8-22(19)37-23)11-28-26(21)38-24(17)13-31(4)39(35,36)25-14-30(3)16-29-25/h5-11,14,16-18,24,33H,12-13,15H2,1-4H3/t17-,18+,24-/m0/s1
InChIKey QDXUGGAJHDZAHH-RHGYRFJNSA-N
SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC4=CC=CC=C4O3)O[C@H]1CN(C)S(=O)(=O)C5=CN(C=N5)C)[C@H](C)CO
ChEBI Ontology
Outgoing N-[[(2R,3S)-8-(2-benzofuranyl)-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:110110) is a benzofurans (CHEBI:35259)
Manual Xref Database
LSM-21537 LINCS
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