CHEBI:124868 - 1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
ChEBI ID CHEBI:124868
Stars This entity has been manually annotated by a third party.
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Formula C24H32N4O5
Net Charge 0
Average Mass 456.536
Monoisotopic Mass 456.23727
InChI InChI=1S/C24H32N4O5/c1-15-13-28(16(2)14-29)23(30)20-11-18(7-10-21(20)33-22(15)12-25-3)27-24(31)26-17-5-8-19(32-4)9-6-17/h5-11,15-16,22,25,29H,12-14H2,1-4H3,(H2,26,27,31)/t15-,16-,22-/m1/s1
InChIKey SBTJRJPUBKNDRG-XCGNWRKASA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@@H]1CNC)[C@H](C)CO
ChEBI Ontology
Outgoing 1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea (CHEBI:124868) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-36310 LINCS
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