CHEBI:119741 - (2S,3R)-8-bromo-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S,3R)-8-bromo-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
ChEBI ID CHEBI:119741
Stars This entity has been manually annotated by a third party.
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Formula C19H28BrN3O3
Net Charge 0
Average Mass 426.348
Monoisotopic Mass 425.13140
InChI InChI=1S/C19H28BrN3O3/c1-12-8-23(13(2)11-24)19(25)16-6-15(20)7-21-18(16)26-17(12)10-22(3)9-14-4-5-14/h6-7,12-14,17,24H,4-5,8-11H2,1-3H3/t12-,13-,17-/m1/s1
InChIKey RZLJZRNIDXVDGS-PBFPGSCMSA-N
SMILES C[C@@H]1CN(C(=O)C2=CC(=CN=C2O[C@@H]1CN(C)CC3CC3)Br)[C@H](C)CO
ChEBI Ontology
Outgoing (2S,3R)-8-bromo-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:119741) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-31185 LINCS
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