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CHEBI:125906 - N-[(2R,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

ChEBI IDCHEBI:125906
ChEBI NameN-[(2R,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
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DownloadsMolfile
FormulaC21H31N3O4
Net Charge0
Average Mass389.496
Monoisotopic Mass389.23146
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)C)Oc2ccc(NC(=O)C3CC3)cc2C1=O
InChIInChI=1S/C21H31N3O4/c1-13-10-24(14(2)12-25)21(27)17-9-16(22-20(26)15-5-6-15)7-8-18(17)28-19(13)11-23(3)4/h7-9,13-15,19,25H,5-6,10-12H2,1-4H3,(H,22,26)/t13-,14+,19-/m0/s1
InChIKeyCJOIYZPSQGIVSU-KSMMKXTCSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide (CHEBI:125906) is a aromatic amide (CHEBI:62733)
Manual XrefsDatabases
LSM-37473LINCS