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CHEBI:111489 - 1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea

ChEBI IDCHEBI:111489
ChEBI Name1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
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DownloadsMolfile
FormulaC21H34N4O6S
Net Charge0
Average Mass470.592
Monoisotopic Mass470.21991
SMILESCC(C)NC(=O)Nc1cccc2c1O[C@H](CN(C)S(C)(=O)=O)[C@H](C)CN([C@@H](C)CO)C2=O
InChIInChI=1S/C21H34N4O6S/c1-13(2)22-21(28)23-17-9-7-8-16-19(17)31-18(11-24(5)32(6,29)30)14(3)10-25(20(16)27)15(4)12-26/h7-9,13-15,18,26H,10-12H2,1-6H3,(H2,22,23,28)/t14-,15+,18-/m1/s1
InChIKeyJMXMRSKNTVHTGA-RVKKMQEKSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea (CHEBI:111489) is a aromatic ether (CHEBI:35618)
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