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CHEBI:124506 - 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-8-yl]-3-propan-2-ylurea

ChEBI IDCHEBI:124506
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-8-yl]-3-propan-2-ylurea
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DownloadsMolfile
FormulaC27H36Cl2N4O4
Net Charge0
Average Mass551.515
Monoisotopic Mass550.21136
SMILESCC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1ccc(Cl)c(Cl)c1)O2
InChIInChI=1S/C27H36Cl2N4O4/c1-16(2)30-27(36)31-20-7-9-24-21(11-20)26(35)33(18(4)15-34)12-17(3)25(37-24)14-32(5)13-19-6-8-22(28)23(29)10-19/h6-11,16-18,25,34H,12-15H2,1-5H3,(H2,30,31,36)/t17-,18+,25+/m0/s1
InChIKeyCQBKMVFNFUTWMH-YYULODDRSA-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-8-yl]-3-propan-2-ylurea (CHEBI:124506) is a dichlorobenzene (CHEBI:23697)
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