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CHEBI:95310 - 1-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-fluorophenyl)urea

ChEBI IDCHEBI:95310
ChEBI Name1-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-fluorophenyl)urea
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DownloadsMolfile
FormulaC30H33Cl2FN4O4
Net Charge0
Average Mass603.522
Monoisotopic Mass602.18629
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O
InChIInChI=1S/C30H33Cl2FN4O4/c1-18-14-37(19(2)17-38)29(39)23-5-4-6-26(35-30(40)34-22-10-8-21(33)9-11-22)28(23)41-27(18)16-36(3)15-20-7-12-24(31)25(32)13-20/h4-13,18-19,27,38H,14-17H2,1-3H3,(H2,34,35,40)/t18-,19+,27+/m0/s1
InChIKeyVLUBEHZZNKTZLC-DSNGTPCMSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-fluorophenyl)urea (CHEBI:95310) is a ureas (CHEBI:47857)
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