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CHEBI:124243 - N-[(2S,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide

ChEBI IDCHEBI:124243
ChEBI NameN-[(2S,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
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DownloadsMolfile
FormulaC31H40N4O7
Net Charge0
Average Mass580.682
Monoisotopic Mass580.28970
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O[C@@H]1CN(C)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C31H40N4O7/c1-19-15-35(20(2)17-36)30(38)24-13-22(32-29(37)21-7-5-4-6-8-21)9-11-25(24)42-28(19)16-34(3)31(39)33-23-10-12-26-27(14-23)41-18-40-26/h9-14,19-21,28,36H,4-8,15-18H2,1-3H3,(H,32,37)(H,33,39)/t19-,20-,28+/m0/s1
InChIKeyFECXZDROTYFREX-URCRQUEMSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide (CHEBI:124243) is a benzodioxoles (CHEBI:38298)
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