CHEBI:130447 - N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide
ChEBI ID CHEBI:130447
Stars This entity has been manually annotated by a third party.
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Formula C32H42F3N3O4
Net Charge 0
Average Mass 589.690
Monoisotopic Mass 589.31274
InChI InChI=1S/C32H42F3N3O4/c1-21-17-38(22(2)20-39)30(40)16-25-15-27(36-31(41)24-7-5-4-6-8-24)13-14-28(25)42-29(21)19-37(3)18-23-9-11-26(12-10-23)32(33,34)35/h9-15,21-22,24,29,39H,4-8,16-20H2,1-3H3,(H,36,41)/t21-,22+,29+/m0/s1
InChIKey AUKBORHYFMVOGK-DKGMKSHISA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CCCCC3)O[C@@H]1CN(C)CC4=CC=C(C=C4)C(F)(F)F)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide (CHEBI:130447) is a (trifluoromethyl)benzenes (CHEBI:83565)
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