N-[(3S,9S,10S)-9-[[[4-(dimethylamino)-1-oxobutyl]-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]-4-pyridinecarboxamide (CHEBI:130137)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130137 - N-[(3S,9S,10S)-9-[[[4-(dimethylamino)-1-oxobutyl]-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]-4-pyridinecarboxamide

Take structure to advanced search

ChEBI ID	CHEBI:130137
ChEBI Name	N-[(3S,9S,10S)-9-[[[4-(dimethylamino)-1-oxobutyl]-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]-4-pyridinecarboxamide
Stars
Last Modified	3 March 2016
Downloads	Molfile

Formula	C34H51N5O6
Net Charge	0
Average Mass	625.811
Monoisotopic Mass	625.38393
SMILES	C[C@H]1CCCCO[C@H](CN(C)C(=O)CCCN(C)C)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1
InChI	InChI=1S/C34H51N5O6/c1-24-21-39(25(2)23-40)34(43)29-20-28(36-33(42)27-14-16-35-17-15-27)12-13-30(29)45-26(3)10-7-8-19-44-31(24)22-38(6)32(41)11-9-18-37(4)5/h12-17,20,24-26,31,40H,7-11,18-19,21-23H2,1-6H3,(H,36,42)/t24-,25-,26-,31+/m0/s1
InChIKey	HAFZNLNPILCNAL-WJQRCLFPSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9S,10S)-9-[[[4-(dimethylamino)-1-oxobutyl]-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]-4-pyridinecarboxamide (CHEBI:130137) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9S,10S)-9-[[[4-(dimethylamino)-1-oxobutyl]-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]-4-pyridinecarboxamide (CHEBI:130137) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-41687	LINCS