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CHEBI:113838 - 1-[[(2S,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea

ChEBI IDCHEBI:113838
ChEBI Name1-[[(2S,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea
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DownloadsMolfile
FormulaC26H36N4O4
Net Charge0
Average Mass468.598
Monoisotopic Mass468.27366
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)Oc2ccc(N(C)C)cc2CC1=O
InChIInChI=1S/C26H36N4O4/c1-18-15-30(19(2)17-31)25(32)14-20-13-22(28(3)4)11-12-23(20)34-24(18)16-29(5)26(33)27-21-9-7-6-8-10-21/h6-13,18-19,24,31H,14-17H2,1-5H3,(H,27,33)/t18-,19+,24+/m0/s1
InChIKeyQJWSWWKQIHLYJD-XLNZFTOWSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2S,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea (CHEBI:113838) is a ureas (CHEBI:47857)
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