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CHEBI:113670 - 1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea

ChEBI IDCHEBI:113670
ChEBI Name1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
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DownloadsMolfile
FormulaC27H38N4O6S
Net Charge0
Average Mass546.690
Monoisotopic Mass546.25121
SMILESCc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3ccc(NC(=O)NC(C)C)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
InChIInChI=1S/C27H38N4O6S/c1-17(2)28-27(34)29-21-9-12-24-23(13-21)26(33)31(20(5)16-32)14-19(4)25(37-24)15-30(6)38(35,36)22-10-7-18(3)8-11-22/h7-13,17,19-20,25,32H,14-16H2,1-6H3,(H2,28,29,34)/t19-,20-,25-/m0/s1
InChIKeyPKTRFCGFRBZOLH-RLSLOFABSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea (CHEBI:113670) is a sulfonamide (CHEBI:35358)
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