CHEBI:123685 - 1-[(2S,3R)-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-propan-2-ylurea

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ChEBI Name 1-[(2S,3R)-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-propan-2-ylurea ChEBI ID CHEBI:123685 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H36Cl2N4O4 Net Charge 0 Average Mass 551.506 Monoisotopic Mass 550.21136 InChI InChI=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-/m1/s1 InChIKey CQBKMVFNFUTWMH-FUMQJTLXSA-N SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@@H]1CN(C)CC3=CC(=C(C=C3)Cl)Cl)[C@@H](C)CO ChEBI Ontology Outgoing 1-[(2S,3R)-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-propan-2-ylurea (CHEBI:123685) is a dichlorobenzene (CHEBI:23697) Manual Xref Database LSM-35127 LINCS View more database links