CHEBI:127710 - 1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea
ChEBI ID CHEBI:127710
Stars This entity has been manually annotated by a third party.
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Formula C31H35F3N4O4
Net Charge 0
Average Mass 584.630
Monoisotopic Mass 584.26104
InChI InChI=1S/C31H35F3N4O4/c1-20-16-38(21(2)19-39)29(40)26-15-25(36-30(41)35-24-7-5-4-6-8-24)13-14-27(26)42-28(20)18-37(3)17-22-9-11-23(12-10-22)31(32,33)34/h4-15,20-21,28,39H,16-19H2,1-3H3,(H2,35,36,41)/t20-,21-,28-/m0/s1
InChIKey RUOZLMFIBHXSJW-CZBREUMFSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)C(F)(F)F)[C@@H](C)CO
ChEBI Ontology
Outgoing 1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea (CHEBI:127710) is a ureas (CHEBI:47857)
Manual Xref Database
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