CHEBI:103689 - N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
ChEBI ID CHEBI:103689
Stars This entity has been manually annotated by a third party.
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Formula C30H33F3N4O4
Net Charge 0
Average Mass 570.604
Monoisotopic Mass 570.24539
InChI InChI=1S/C30H33F3N4O4/c1-19-15-37(20(2)18-38)29(40)24-5-4-6-25(35-28(39)22-11-13-34-14-12-22)27(24)41-26(19)17-36(3)16-21-7-9-23(10-8-21)30(31,32)33/h4-14,19-20,26,38H,15-18H2,1-3H3,(H,35,39)/t19-,20-,26+/m0/s1
InChIKey KEFKPOALKIRQIF-CUVVAGTFSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC=NC=C3)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-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide (CHEBI:103689) is a (trifluoromethyl)benzenes (CHEBI:83565)
Manual Xref Database
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