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CHEBI:111587 - 1-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

ChEBI IDCHEBI:111587
ChEBI Name1-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea
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FormulaC25H34N4O4
Net Charge0
Average Mass454.571
Monoisotopic Mass454.25801
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccccc3)ccc2O[C@H]1CN(C)C
InChIInChI=1S/C25H34N4O4/c1-17-14-29(18(2)16-30)24(31)13-19-12-21(10-11-22(19)33-23(17)15-28(3)4)27-25(32)26-20-8-6-5-7-9-20/h5-12,17-18,23,30H,13-16H2,1-4H3,(H2,26,27,32)/t17-,18-,23+/m1/s1
InChIKeyVPMPLFBICILMPX-PNCHPQGNSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea (CHEBI:111587) is a ureas (CHEBI:47857)
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