N-[(3R,9R,10S)-9-[[[cyclohexyl(oxo)methyl]-methylamino]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:117797)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:117797 - N-[(3R,9R,10S)-9-[[[cyclohexyl(oxo)methyl]-methylamino]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

Take structure to advanced search

ChEBI ID	CHEBI:117797
ChEBI Name	N-[(3R,9R,10S)-9-[[[cyclohexyl(oxo)methyl]-methylamino]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
Stars
Last Modified	3 March 2016
Downloads	Molfile

Formula	C35H50N4O6
Net Charge	0
Average Mass	622.807
Monoisotopic Mass	622.37304
SMILES	C[C@@H]1CCCCO[C@@H](CN(C)C(=O)C2CCCCC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1
InChI	InChI=1S/C35H50N4O6/c1-24-21-39(25(2)23-40)35(43)30-20-29(37-33(41)27-15-17-36-18-16-27)13-14-31(30)45-26(3)10-8-9-19-44-32(24)22-38(4)34(42)28-11-6-5-7-12-28/h13-18,20,24-26,28,32,40H,5-12,19,21-23H2,1-4H3,(H,37,41)/t24-,25+,26+,32-/m0/s1
InChIKey	LKIIRWUIYHEPDR-GSDPCRBASA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3R,9R,10S)-9-[[[cyclohexyl(oxo)methyl]-methylamino]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:117797) is a azamacrocycle (CHEBI:52898)
	N-[(3R,9R,10S)-9-[[[cyclohexyl(oxo)methyl]-methylamino]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:117797) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-29246	LINCS