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CHEBI:126847 - 4-(dimethylamino)-N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide

ChEBI IDCHEBI:126847
ChEBI Name4-(dimethylamino)-N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC35H54N4O7S
Net Charge0
Average Mass674.905
Monoisotopic Mass674.37132
SMILESCc1ccc(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)CCCN(C)C)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1
InChIInChI=1S/C35H54N4O7S/c1-25-13-16-30(17-14-25)47(43,44)38(7)23-33-26(2)22-39(27(3)24-40)35(42)31-21-29(36-34(41)12-10-19-37(5)6)15-18-32(31)46-28(4)11-8-9-20-45-33/h13-18,21,26-28,33,40H,8-12,19-20,22-24H2,1-7H3,(H,36,41)/t26-,27-,28-,33+/m1/s1
InChIKeyZBIOHAJTVJFZBG-NPJKBUODSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(dimethylamino)-N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:126847) is a azamacrocycle (CHEBI:52898)
4-(dimethylamino)-N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:126847) is a lactam (CHEBI:24995)
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