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CHEBI:127744 - N-[(2R,3R)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide

ChEBI IDCHEBI:127744
ChEBI NameN-[(2R,3R)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
Stars
DownloadsMolfile
FormulaC30H41N5O7
Net Charge0
Average Mass583.686
Monoisotopic Mass583.30060
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O[C@H]1CN(C)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C30H41N5O7/c1-19-15-35(20(2)17-36)29(38)23-13-21(31-28(37)7-6-12-33(3)4)8-10-24(23)42-27(19)16-34(5)30(39)32-22-9-11-25-26(14-22)41-18-40-25/h8-11,13-14,19-20,27,36H,6-7,12,15-18H2,1-5H3,(H,31,37)(H,32,39)/t19-,20-,27+/m1/s1
InChIKeyGRQQCURPJJKOPI-DVHCVUMVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide (CHEBI:127744) is a benzodioxoles (CHEBI:38298)
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