CHEBI:129490 - 1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea
ChEBI ID CHEBI:129490
Stars This entity has been manually annotated by a third party.
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Formula C32H37F3N4O4
Net Charge 0
Average Mass 598.657
Monoisotopic Mass 598.27669
InChI InChI=1S/C32H37F3N4O4/c1-21-17-39(22(2)20-40)30(41)16-24-15-27(37-31(42)36-26-7-5-4-6-8-26)13-14-28(24)43-29(21)19-38(3)18-23-9-11-25(12-10-23)32(33,34)35/h4-15,21-22,29,40H,16-20H2,1-3H3,(H2,36,37,42)/t21-,22-,29-/m1/s1
InChIKey RRTIWHGSFRWPSK-IEOSBIPESA-N
SMILES C[C@@H]1CN(C(=O)CC2=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-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea (CHEBI:129490) is a ureas (CHEBI:47857)
Manual Xref Database
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