CHEBI:106847 - N-[[(3S,9S,10R)-16-[[cyclohexyl(oxo)methyl]amino]-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-9-yl]methyl]-N-methyl-4-pyridinecarboxamide

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ChEBI Name N-[[(3S,9S,10R)-16-[[cyclohexyl(oxo)methyl]amino]-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-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
ChEBI ID CHEBI:106847
Stars This entity has been manually annotated by a third party.
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Formula C35H50N4O6
Net Charge 0
Average Mass 622.796
Monoisotopic Mass 622.37304
InChI InChI=1S/C35H50N4O6/c1-24-21-39(25(2)23-40)35(43)30-20-29(37-33(41)27-11-6-5-7-12-27)13-14-31(30)45-26(3)10-8-9-19-44-32(24)22-38(4)34(42)28-15-17-36-18-16-28/h13-18,20,24-27,32,40H,5-12,19,21-23H2,1-4H3,(H,37,41)/t24-,25+,26+,32-/m1/s1
InChIKey OQPYQZIBKYAWRE-XDMKPEOCSA-N
SMILES C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=NC=C4
ChEBI Ontology
Outgoing N-[[(3S,9S,10R)-16-[[cyclohexyl(oxo)methyl]amino]-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-9-yl]methyl]-N-methyl-4-pyridinecarboxamide (CHEBI:106847) is a azamacrocycle (CHEBI:52898)
N-[[(3S,9S,10R)-16-[[cyclohexyl(oxo)methyl]amino]-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-9-yl]methyl]-N-methyl-4-pyridinecarboxamide (CHEBI:106847) is a lactam (CHEBI:24995)
Manual Xref Database
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Last Modified
03 March 2016