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CHEBI:92195 - 1-[(2R,3R)-2-[[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea

ChEBI IDCHEBI:92195
ChEBI Name1-[(2R,3R)-2-[[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea
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FormulaC35H38N4O8S
Net Charge0
Average Mass674.776
Monoisotopic Mass674.24104
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3cccc4ccccc34)c2O[C@H]1CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C35H38N4O8S/c1-22-19-39(23(2)21-40)34(41)27-11-7-13-29(37-35(42)36-28-12-6-9-24-8-4-5-10-26(24)28)33(27)47-32(22)20-38(3)48(43,44)25-14-15-30-31(18-25)46-17-16-45-30/h4-15,18,22-23,32,40H,16-17,19-21H2,1-3H3,(H2,36,37,42)/t22-,23+,32+/m1/s1
InChIKeyYDFFDCBBGWXONN-MODXFSQWSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3R)-2-[[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea (CHEBI:92195) is a naphthalenes (CHEBI:25477)
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