CHEBI:127713 - N-[(3R,9S,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-pyridinecarboxamide

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ChEBI Name N-[(3R,9S,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-pyridinecarboxamide
ChEBI ID CHEBI:127713
Stars This entity has been manually annotated by a third party.
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Formula C35H52N4O5
Net Charge 0
Average Mass 608.813
Monoisotopic Mass 608.394
InChI InChI=1S/C35H52N4O5/c1-25-21-39(26(2)24-40)35(42)31-20-30(37-34(41)29-15-17-36-18-16-29)13-14-32(31)44-27(3)10-8-9-19-43-33(25)23-38(4)22-28-11-6-5-7-12-28/h13-18,20,25-28,33,40H,5-12,19,21-24H2,1-4H3,(H,37,41)/t25-,26-,27-,33-/m1/s1
InChIKey PRNQDRDIWPOXBY-BXWHCVCYSA-N
SMILES C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4CCCCC4
ChEBI Ontology
Outgoing N-[(3R,9S,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-pyridinecarboxamide (CHEBI:127713) is a azamacrocycle (CHEBI:52898)
N-[(3R,9S,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-pyridinecarboxamide (CHEBI:127713) is a lactam (CHEBI:24995)
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