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CHEBI:95231 - 1-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea

ChEBI IDCHEBI:95231
ChEBI Name1-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
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DownloadsMolfile
FormulaC30H35FN4O7S
Net Charge0
Average Mass614.696
Monoisotopic Mass614.22105
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)O3)cc1
InChIInChI=1S/C30H35FN4O7S/c1-19-16-35(20(2)18-36)29(37)26-15-23(33-30(38)32-22-7-10-24(41-4)11-8-22)9-14-27(26)42-28(19)17-34(3)43(39,40)25-12-5-21(31)6-13-25/h5-15,19-20,28,36H,16-18H2,1-4H3,(H2,32,33,38)/t19-,20+,28-/m0/s1
InChIKeyRHACVXVAMDOZEC-BCDQWZCSSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea (CHEBI:95231) is a sulfonamide (CHEBI:35358)
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