CHEBI:124402 - 1-[(2R,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-(3,5-dimethyl-4-isoxazolyl)urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(2R,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-(3,5-dimethyl-4-isoxazolyl)urea
ChEBI ID CHEBI:124402
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H35Cl2N5O5
Net Charge 0
Average Mass 604.526
Monoisotopic Mass 603.20152
InChI InChI=1S/C29H35Cl2N5O5/c1-16-12-36(17(2)15-37)28(38)21-7-6-8-24(32-29(39)33-26-18(3)34-41-19(26)4)27(21)40-25(16)14-35(5)13-20-9-10-22(30)23(31)11-20/h6-11,16-17,25,37H,12-15H2,1-5H3,(H2,32,33,39)/t16-,17+,25-/m0/s1
InChIKey XZKSGWSUUNDQRD-QLODZENZSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=C(ON=C3C)C)O[C@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@H](C)CO
ChEBI Ontology
Outgoing 1-[(2R,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-(3,5-dimethyl-4-isoxazolyl)urea (CHEBI:124402) is a dichlorobenzene (CHEBI:23697)
Manual Xref Database
LSM-35844 LINCS
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