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CHEBI:123990 - 1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea

ChEBI IDCHEBI:123990
ChEBI Name1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
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DownloadsMolfile
FormulaC27H38N4O6S
Net Charge0
Average Mass546.690
Monoisotopic Mass546.25121
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)NC(C)C)O3)cc1
InChIInChI=1S/C27H38N4O6S/c1-17(2)28-27(34)30(6)15-25-19(4)14-31(20(5)16-32)26(33)23-13-21(9-12-24(23)37-25)29-38(35,36)22-10-7-18(3)8-11-22/h7-13,17,19-20,25,29,32H,14-16H2,1-6H3,(H,28,34)/t19-,20+,25+/m1/s1
InChIKeyHJQIIGSKSQOFKI-RNHFSVANSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:123990) is a sulfonamide (CHEBI:35358)
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