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CHEBI:127504 - 1-[(2R,3R)-2-[[(3,5-dimethyl-4-isoxazolyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea

ChEBI IDCHEBI:127504
ChEBI Name1-[(2R,3R)-2-[[(3,5-dimethyl-4-isoxazolyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
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DownloadsMolfile
FormulaC26H39N5O7S
Net Charge0
Average Mass565.693
Monoisotopic Mass565.25702
SMILESCc1noc(C)c1S(=O)(=O)N(C)C[C@@H]1Oc2ccc(NC(=O)NC(C)C)cc2CC(=O)N([C@@H](C)CO)C[C@H]1C
InChIInChI=1S/C26H39N5O7S/c1-15(2)27-26(34)28-21-8-9-22-20(10-21)11-24(33)31(17(4)14-32)12-16(3)23(37-22)13-30(7)39(35,36)25-18(5)29-38-19(25)6/h8-10,15-17,23,32H,11-14H2,1-7H3,(H2,27,28,34)/t16-,17+,23+/m1/s1
InChIKeyZAUKJSIMJFTPRR-DGGJZMOXSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3R)-2-[[(3,5-dimethyl-4-isoxazolyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea (CHEBI:127504) is a aromatic ether (CHEBI:35618)
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