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CHEBI:95416 - 1-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-fluorophenyl)urea

ChEBI IDCHEBI:95416
ChEBI Name1-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-fluorophenyl)urea
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DownloadsMolfile
FormulaC28H37FN4O4
Net Charge0
Average Mass512.626
Monoisotopic Mass512.27988
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@H]1CN(C)CC1CC1
InChIInChI=1S/C28H37FN4O4/c1-18-14-33(19(2)17-34)27(35)13-21-12-24(31-28(36)30-23-8-6-22(29)7-9-23)10-11-25(21)37-26(18)16-32(3)15-20-4-5-20/h6-12,18-20,26,34H,4-5,13-17H2,1-3H3,(H2,30,31,36)/t18-,19-,26-/m0/s1
InChIKeyAMQZKZPLMSJSIN-DGUDUIIESA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-fluorophenyl)urea (CHEBI:95416) is a ureas (CHEBI:47857)
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