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CHEBI:104674 - N-[(3S,9S,10R)-9-[[[4-(dimethylamino)-1-oxobutyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide

ChEBI IDCHEBI:104674
ChEBI NameN-[(3S,9S,10R)-9-[[[4-(dimethylamino)-1-oxobutyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
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DownloadsMolfile
FormulaC35H52N4O6
Net Charge0
Average Mass624.823
Monoisotopic Mass624.38869
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccccc3)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)C(=O)CCCN(C)C
InChIInChI=1S/C35H52N4O6/c1-25-22-39(26(2)24-40)35(43)30-21-29(36-34(42)28-14-8-7-9-15-28)17-18-31(30)45-27(3)13-10-11-20-44-32(25)23-38(6)33(41)16-12-19-37(4)5/h7-9,14-15,17-18,21,25-27,32,40H,10-13,16,19-20,22-24H2,1-6H3,(H,36,42)/t25-,26-,27+,32-/m1/s1
InChIKeyZMTJRORPEDZKCY-BESNRVDSSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3S,9S,10R)-9-[[[4-(dimethylamino)-1-oxobutyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide (CHEBI:104674) is a azamacrocycle (CHEBI:52898)
N-[(3S,9S,10R)-9-[[[4-(dimethylamino)-1-oxobutyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide (CHEBI:104674) is a lactam (CHEBI:24995)
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