CHEBI:108687 - N-[(2R,3S)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-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-[(2R,3S)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide
ChEBI ID CHEBI:108687
Stars This entity has been manually annotated by a third party.
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Formula C31H41FN4O5
Net Charge 0
Average Mass 568.681
Monoisotopic Mass 568.30610
InChI InChI=1S/C31H41FN4O5/c1-20-17-36(21(2)19-37)29(38)16-23-15-26(33-30(39)22-7-5-4-6-8-22)13-14-27(23)41-28(20)18-35(3)31(40)34-25-11-9-24(32)10-12-25/h9-15,20-22,28,37H,4-8,16-19H2,1-3H3,(H,33,39)(H,34,40)/t20-,21-,28-/m0/s1
InChIKey KWOBPQGHYDHVIO-CZBREUMFSA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CCCCC3)O[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide (CHEBI:108687) is a ureas (CHEBI:47857)
Manual Xref Database
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