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CHEBI:123792 - N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide

ChEBI IDCHEBI:123792
ChEBI NameN-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide
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DownloadsMolfile
FormulaC28H36N4O6S
Net Charge0
Average Mass556.685
Monoisotopic Mass556.23556
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@@H]1CN(C)S(C)(=O)=O
InChIInChI=1S/C28H36N4O6S/c1-18-14-32(19(2)17-33)28(35)23-13-21(10-11-25(23)38-26(18)16-31(4)39(5,36)37)29-27(34)12-20-15-30(3)24-9-7-6-8-22(20)24/h6-11,13,15,18-19,26,33H,12,14,16-17H2,1-5H3,(H,29,34)/t18-,19-,26-/m1/s1
InChIKeyVGRSZYTVZUQTAY-LJKQEARRSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide (CHEBI:123792) is a indoles (CHEBI:24828)
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