CHEBI:130836 - N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

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ChEBI Name N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]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 ID CHEBI:130836 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H32Cl2F3N3O4 Net Charge 0 Average Mass 590.463 Monoisotopic Mass 589.17220 InChI InChI=1S/C27H32Cl2F3N3O4/c1-16-12-35(17(2)15-36)26(38)20-11-19(33-25(37)8-9-27(30,31)32)5-7-23(20)39-24(16)14-34(3)13-18-4-6-21(28)22(29)10-18/h4-7,10-11,16-17,24,36H,8-9,12-15H2,1-3H3,(H,33,37)/t16-,17+,24-/m1/s1 InChIKey WYNCONGFJQZCFS-XVTZWQNCSA-N SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@@H]1CN(C)CC3=CC(=C(C=C3)Cl)Cl)[C@@H](C)CO ChEBI Ontology Outgoing N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]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:130836) is a dichlorobenzene (CHEBI:23697) Manual Xref Database LSM-42385 LINCS View more database links