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CHEBI:117701 - N-[(3R,9R,10S)-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:117701
ChEBI NameN-[(3R,9R,10S)-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]1CCCCO[C@@H](CN(C)C(=O)CCCN(C)C)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccccc3)ccc2O1
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-/m0/s1
InChIKeyZMTJRORPEDZKCY-XDZDDBEASA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,9R,10S)-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:117701) is a azamacrocycle (CHEBI:52898)
N-[(3R,9R,10S)-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:117701) is a lactam (CHEBI:24995)
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