CHEBI:124747 - 3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea
ChEBI ID CHEBI:124747
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H38FN5O5
Net Charge 0
Average Mass 543.631
Monoisotopic Mass 543.28570
InChI InChI=1S/C28H38FN5O5/c1-17(2)30-27(37)31-23-10-11-24-20(12-23)13-26(36)34(19(4)16-35)14-18(3)25(39-24)15-33(5)28(38)32-22-8-6-21(29)7-9-22/h6-12,17-19,25,35H,13-16H2,1-5H3,(H,32,38)(H2,30,31,37)/t18-,19+,25+/m1/s1
InChIKey COELXGSSMKCDHI-WYEJZRMESA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@H]1CN(C)C(=O)NC3=CC=C(C=C3)F)[C@@H](C)CO
ChEBI Ontology
Outgoing 3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea (CHEBI:124747) is a ureas (CHEBI:47857)
Manual Xref Database
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