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CHEBI:127834 - 1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-[4-(trifluoromethyl)phenyl]urea

ChEBI IDCHEBI:127834
ChEBI Name1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-[4-(trifluoromethyl)phenyl]urea
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DownloadsMolfile
FormulaC32H37F3N4O7S
Net Charge0
Average Mass678.730
Monoisotopic Mass678.23351
SMILESCOc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1
InChIInChI=1S/C32H37F3N4O7S/c1-20-17-39(21(2)19-40)30(41)16-22-15-25(37-31(42)36-24-7-5-23(6-8-24)32(33,34)35)9-14-28(22)46-29(20)18-38(3)47(43,44)27-12-10-26(45-4)11-13-27/h5-15,20-21,29,40H,16-19H2,1-4H3,(H2,36,37,42)/t20-,21-,29-/m1/s1
InChIKeyAIWMNFKLTIXQRS-GVNDJSPXSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:127834) is a sulfonamide (CHEBI:35358)
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