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CHEBI:113725 - 1-[[(2R,3R)-10-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

ChEBI IDCHEBI:113725
ChEBI Name1-[[(2R,3R)-10-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
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DownloadsMolfile
FormulaC31H40F3N5O5
Net Charge0
Average Mass619.685
Monoisotopic Mass619.29815
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)NC3CCCCC3)c2O[C@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C31H40F3N5O5/c1-19-16-39(20(2)18-40)28(41)24-10-7-11-25(37-29(42)35-22-8-5-4-6-9-22)27(24)44-26(19)17-38(3)30(43)36-23-14-12-21(13-15-23)31(32,33)34/h7,10-15,19-20,22,26,40H,4-6,8-9,16-18H2,1-3H3,(H,36,43)(H2,35,37,42)/t19-,20-,26+/m1/s1
InChIKeyDYMIOMKCTZAAFH-KYTVRQNUSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2R,3R)-10-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:113725) is a ureas (CHEBI:47857)
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