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CHEBI:127996 - N-[(3S,9R,10S)-9-[[cyclohexylmethyl(methyl)amino]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:127996
ChEBI NameN-[(3S,9R,10S)-9-[[cyclohexylmethyl(methyl)amino]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
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FormulaC36H59N3O5
Net Charge0
Average Mass613.884
Monoisotopic Mass613.44547
SMILESC[C@H]1CCCCO[C@@H](CN(C)CC2CCCCC2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1
InChIInChI=1S/C36H59N3O5/c1-26-22-39(27(2)25-40)36(42)32-21-31(37-35(41)30-16-9-6-10-17-30)18-19-33(32)44-28(3)13-11-12-20-43-34(26)24-38(4)23-29-14-7-5-8-15-29/h18-19,21,26-30,34,40H,5-17,20,22-25H2,1-4H3,(H,37,41)/t26-,27-,28-,34-/m0/s1
InChIKeyNILCQTKEVAIMRT-NWWIOOOSSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3S,9R,10S)-9-[[cyclohexylmethyl(methyl)amino]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:127996) is a azamacrocycle (CHEBI:52898)
N-[(3S,9R,10S)-9-[[cyclohexylmethyl(methyl)amino]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:127996) is a lactam (CHEBI:24995)
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