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CHEBI:124731 - N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

ChEBI IDCHEBI:124731
ChEBI NameN-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide
Stars
DownloadsMolfile
FormulaC27H40F3N3O4
Net Charge0
Average Mass527.628
Monoisotopic Mass527.29709
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O[C@@H]1CN(C)CC1CCCCC1
InChIInChI=1S/C27H40F3N3O4/c1-18-14-33(19(2)17-34)26(36)22-13-21(31-25(35)11-12-27(28,29)30)9-10-23(22)37-24(18)16-32(3)15-20-7-5-4-6-8-20/h9-10,13,18-20,24,34H,4-8,11-12,14-17H2,1-3H3,(H,31,35)/t18-,19+,24-/m1/s1
InChIKeyMNOGTMRURUHZHU-YDIMBITNSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide (CHEBI:124731) is a aromatic amide (CHEBI:62733)
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