CHEBI:108832 - 1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-[4-(trifluoromethyl)phenyl]urea

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ChEBI Name 1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-[4-(trifluoromethyl)phenyl]urea
ChEBI ID CHEBI:108832
Stars This entity has been manually annotated by a third party.
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Formula C24H29F3N4O4
Net Charge 0
Average Mass 494.508
Monoisotopic Mass 494.21409
InChI InChI=1S/C24H29F3N4O4/c1-14-12-31(15(2)13-32)22(33)18-5-4-6-19(21(18)35-20(14)11-28-3)30-23(34)29-17-9-7-16(8-10-17)24(25,26)27/h4-10,14-15,20,28,32H,11-13H2,1-3H3,(H2,29,30,34)/t14-,15+,20-/m1/s1
InChIKey KNPSDLIHJHZPLR-QEEYODRMSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)O[C@@H]1CNC)[C@@H](C)CO
ChEBI Ontology
Outgoing 1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:108832) is a ureas (CHEBI:47857)
Manual Xref Database
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