CHEBI:127884 - 1-[[(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[[(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
ChEBI ID CHEBI:127884
Stars This entity has been manually annotated by a third party.
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Formula C26H36N4O5
Net Charge 0
Average Mass 484.589
Monoisotopic Mass 484.26857
InChI InChI=1S/C26H36N4O5/c1-17-14-30(18(2)16-31)25(32)22-13-20(28(3)4)9-12-23(22)35-24(17)15-29(5)26(33)27-19-7-10-21(34-6)11-8-19/h7-13,17-18,24,31H,14-16H2,1-6H3,(H,27,33)/t17-,18+,24-/m1/s1
InChIKey WPUIFJYVSOAUNQ-NXMSCROESA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)C(=O)NC3=CC=C(C=C3)OC)[C@@H](C)CO
ChEBI Ontology
Outgoing 1-[[(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea (CHEBI:127884) is a ureas (CHEBI:47857)
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