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CHEBI:111691 - N-[(2S,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide

ChEBI IDCHEBI:111691
ChEBI NameN-[(2S,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
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DownloadsMolfile
FormulaC29H35F3N4O7
Net Charge0
Average Mass608.614
Monoisotopic Mass608.24578
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCC(F)(F)F)ccc2O[C@@H]1CN(C)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C29H35F3N4O7/c1-17-13-36(18(2)15-37)27(39)11-19-10-20(33-26(38)8-9-29(30,31)32)4-6-22(19)43-25(17)14-35(3)28(40)34-21-5-7-23-24(12-21)42-16-41-23/h4-7,10,12,17-18,25,37H,8-9,11,13-16H2,1-3H3,(H,33,38)(H,34,40)/t17-,18-,25+/m0/s1
InChIKeyPUSPJJJYURZHGK-DPOKWSEZSA-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-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide (CHEBI:111691) is a benzodioxoles (CHEBI:38298)
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