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CHEBI:113744 - 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]-2-phenylacetamide

ChEBI IDCHEBI:113744
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]-2-phenylacetamide
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DownloadsMolfile
FormulaC32H36N4O7
Net Charge0
Average Mass588.661
Monoisotopic Mass588.25840
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O[C@@H]1CN(C)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C32H36N4O7/c1-20-16-36(21(2)18-37)31(39)25-14-23(33-30(38)13-22-7-5-4-6-8-22)9-11-26(25)43-29(20)17-35(3)32(40)34-24-10-12-27-28(15-24)42-19-41-27/h4-12,14-15,20-21,29,37H,13,16-19H2,1-3H3,(H,33,38)(H,34,40)/t20-,21-,29+/m0/s1
InChIKeyUVTNCBQHXJQZIN-LRZFZUCMSA-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]-2-phenylacetamide (CHEBI:113744) is a acetamides (CHEBI:22160)
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LSM-25176LINCS