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CHEBI:111113 - N-[(3S,9R,10R)-9-[[cyclohexylmethyl(methyl)amino]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]-4-(dimethylamino)butanamide

ChEBI IDCHEBI:111113
ChEBI NameN-[(3S,9R,10R)-9-[[cyclohexylmethyl(methyl)amino]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]-4-(dimethylamino)butanamide
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Last Modified3 March 2016
DownloadsMolfile
FormulaC35H60N4O5
Net Charge0
Average Mass616.888
Monoisotopic Mass616.45637
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)CC1CCCCC1
InChIInChI=1S/C35H60N4O5/c1-26-22-39(27(2)25-40)35(42)31-21-30(36-34(41)16-12-19-37(4)5)17-18-32(31)44-28(3)13-10-11-20-43-33(26)24-38(6)23-29-14-8-7-9-15-29/h17-18,21,26-29,33,40H,7-16,19-20,22-25H2,1-6H3,(H,36,41)/t26-,27-,28+,33+/m1/s1
InChIKeyXXBVUIDNUVBELT-RPWGJLQWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3S,9R,10R)-9-[[cyclohexylmethyl(methyl)amino]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]-4-(dimethylamino)butanamide (CHEBI:111113) is a azamacrocycle (CHEBI:52898)
N-[(3S,9R,10R)-9-[[cyclohexylmethyl(methyl)amino]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]-4-(dimethylamino)butanamide (CHEBI:111113) is a lactam (CHEBI:24995)
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