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CHEBI:94935 - 1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea

ChEBI IDCHEBI:94935
ChEBI Name1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea
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DownloadsMolfile
FormulaC30H36N4O7S
Net Charge0
Average Mass596.706
Monoisotopic Mass596.23047
SMILESCOc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c(NC(=O)Nc4ccccc4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1
InChIInChI=1S/C30H36N4O7S/c1-20-17-34(21(2)19-35)29(36)25-11-8-12-26(32-30(37)31-22-9-6-5-7-10-22)28(25)41-27(20)18-33(3)42(38,39)24-15-13-23(40-4)14-16-24/h5-16,20-21,27,35H,17-19H2,1-4H3,(H2,31,32,37)/t20-,21+,27-/m1/s1
InChIKeyFVBMANNWVHBCBY-PBDKAQRYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea (CHEBI:94935) is a sulfonamide (CHEBI:35358)
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