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CHEBI:126307 - N-[(3R,9S,10R)-9-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-12-[(2S)-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]cyclohexanecarboxamide

ChEBI IDCHEBI:126307
ChEBI NameN-[(3R,9S,10R)-9-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-12-[(2S)-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]cyclohexanecarboxamide
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC36H58N4O6
Net Charge0
Average Mass642.882
Monoisotopic Mass642.43564
SMILESC[C@@H]1CCCCO[C@H](CN(C)C(=O)NC2CCCCC2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1
InChIInChI=1S/C36H58N4O6/c1-25-22-40(26(2)24-41)35(43)31-21-30(37-34(42)28-14-7-5-8-15-28)18-19-32(31)46-27(3)13-11-12-20-45-33(25)23-39(4)36(44)38-29-16-9-6-10-17-29/h18-19,21,25-29,33,41H,5-17,20,22-24H2,1-4H3,(H,37,42)(H,38,44)/t25-,26+,27-,33-/m1/s1
InChIKeyPJJFGNJDCNNRAD-GLPSKGHJSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,9S,10R)-9-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-12-[(2S)-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]cyclohexanecarboxamide (CHEBI:126307) is a azamacrocycle (CHEBI:52898)
N-[(3R,9S,10R)-9-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-12-[(2S)-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]cyclohexanecarboxamide (CHEBI:126307) is a lactam (CHEBI:24995)
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