CHEBI:128470 - 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-propan-2-ylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 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-propan-2-ylurea
ChEBI ID CHEBI:128470
Stars This entity has been manually annotated by a third party.
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Formula C27H36Cl2N4O4
Net Charge 0
Average Mass 551.506
Monoisotopic Mass 550.21136
InChI InChI=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+/m0/s1
InChIKey FCCAVEYMXYQNMW-HOOSLVGPSA-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,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-propan-2-ylurea (CHEBI:128470) is a dichlorobenzene (CHEBI:23697)
Manual Xref Database
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