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CHEBI:129275 - 1-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea

ChEBI IDCHEBI:129275
ChEBI Name1-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea
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DownloadsMolfile
FormulaC30H34Cl2N4O4
Net Charge0
Average Mass585.532
Monoisotopic Mass584.19571
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C30H34Cl2N4O4/c1-19-15-36(20(2)18-37)29(38)24-14-23(34-30(39)33-22-7-5-4-6-8-22)10-12-27(24)40-28(19)17-35(3)16-21-9-11-25(31)26(32)13-21/h4-14,19-20,28,37H,15-18H2,1-3H3,(H2,33,34,39)/t19-,20-,28-/m0/s1
InChIKeyIFBPROAPJJMGOW-JVAKCPTJSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea (CHEBI:129275) is a ureas (CHEBI:47857)
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