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CHEBI:124148 - 1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea

ChEBI IDCHEBI:124148
ChEBI Name1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
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DownloadsMolfile
FormulaC30H36N4O6S
Net Charge0
Average Mass580.707
Monoisotopic Mass580.23556
SMILESCc1ccc(S(=O)(=O)Nc2cccc3c2O[C@H](CN(C)C(=O)Nc2ccccc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1
InChIInChI=1S/C30H36N4O6S/c1-20-13-15-24(16-14-20)41(38,39)32-26-12-8-11-25-28(26)40-27(21(2)17-34(29(25)36)22(3)19-35)18-33(4)30(37)31-23-9-6-5-7-10-23/h5-16,21-22,27,32,35H,17-19H2,1-4H3,(H,31,37)/t21-,22+,27+/m0/s1
InChIKeyIAQUYCHTUWTPPM-OREGWCPLSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea (CHEBI:124148) is a sulfonamide (CHEBI:35358)
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