CHEBI:129637 - N-[(2S,3R)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3R)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide
ChEBI ID CHEBI:129637
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H34F3N5O6
Net Charge 0
Average Mass 569.574
Monoisotopic Mass 569.24612
InChI InChI=1S/C26H34F3N5O6/c1-14-11-34(15(2)13-35)24(37)19-10-18(30-22(36)8-9-26(27,28)29)6-7-20(19)39-21(14)12-33(5)25(38)31-23-16(3)32-40-17(23)4/h6-7,10,14-15,21,35H,8-9,11-13H2,1-5H3,(H,30,36)(H,31,38)/t14-,15-,21-/m1/s1
InChIKey BNEDOCMZXPXXCZ-VTJXTGGHSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@@H]1CN(C)C(=O)NC3=C(ON=C3C)C)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3R)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide (CHEBI:129637) is a aromatic amide (CHEBI:62733)
Manual Xref Database
LSM-41188 LINCS
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