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CHEBI:126531 - 1-[(2S,3R)-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-propan-2-ylurea

ChEBI IDCHEBI:126531
ChEBI Name1-[(2S,3R)-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-propan-2-ylurea
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DownloadsMolfile
FormulaC27H36Cl2N4O4
Net Charge0
Average Mass551.515
Monoisotopic Mass550.21136
SMILESCC(C)NC(=O)Nc1cccc2c1O[C@H](CN(C)Cc1ccc(Cl)c(Cl)c1)[C@H](C)CN([C@H](C)CO)C2=O
InChIInChI=1S/C27H36Cl2N4O4/c1-16(2)30-27(36)31-23-8-6-7-20-25(23)37-24(17(3)12-33(26(20)35)18(4)15-34)14-32(5)13-19-9-10-21(28)22(29)11-19/h6-11,16-18,24,34H,12-15H2,1-5H3,(H2,30,31,36)/t17-,18-,24-/m1/s1
InChIKeyFCCAVEYMXYQNMW-QZTZHPFYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3R)-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-propan-2-ylurea (CHEBI:126531) is a dichlorobenzene (CHEBI:23697)
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