CHEBI:124698 - N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
ChEBI ID CHEBI:124698
Stars This entity has been manually annotated by a third party.
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Formula C31H34F3N5O5
Net Charge 0
Average Mass 613.629
Monoisotopic Mass 613.25120
InChI InChI=1S/C31H34F3N5O5/c1-19-16-39(20(2)18-40)28(41)15-22-14-25(36-29(42)21-10-12-35-13-11-21)8-9-26(22)44-27(19)17-38(3)30(43)37-24-6-4-23(5-7-24)31(32,33)34/h4-14,19-20,27,40H,15-18H2,1-3H3,(H,36,42)(H,37,43)/t19-,20-,27-/m0/s1
InChIKey WSQKSOCZDSLUAF-OSOCVKALSA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3=CC=NC=C3)O[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)C(F)(F)F)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide (CHEBI:124698) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-36140 LINCS
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