CHEBI:123717 - (2R,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2R,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
ChEBI ID CHEBI:123717
Stars This entity has been manually annotated by a third party.
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Formula C32H41N3O4
Net Charge 0
Average Mass 531.687
Monoisotopic Mass 531.30971
InChI InChI=1S/C32H41N3O4/c1-23-19-35(24(2)22-36)32(37)18-26-17-27(33(3)4)13-16-30(26)39-31(23)21-34(5)20-25-11-14-29(15-12-25)38-28-9-7-6-8-10-28/h6-17,23-24,31,36H,18-22H2,1-5H3/t23-,24+,31-/m0/s1
InChIKey KPMYWLOWNANZDW-JLELKNTQSA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@H]1CN(C)CC3=CC=C(C=C3)OC4=CC=CC=C4)[C@H](C)CO
ChEBI Ontology
Outgoing (2R,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one (CHEBI:123717) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-35159 LINCS
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