4-(dimethylamino)-N-[(3R,9R,10S)-9-[[[4-(dimethylamino)-1-oxobutyl]-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]butanamide (CHEBI:128743)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128743 - 4-(dimethylamino)-N-[(3R,9R,10S)-9-[[[4-(dimethylamino)-1-oxobutyl]-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]butanamide

Take structure to advanced search

ChEBI ID	CHEBI:128743
ChEBI Name	4-(dimethylamino)-N-[(3R,9R,10S)-9-[[[4-(dimethylamino)-1-oxobutyl]-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]butanamide
Stars
Last Modified	3 March 2016
Downloads	Molfile

Formula	C34H59N5O6
Net Charge	0
Average Mass	633.875
Monoisotopic Mass	633.44653
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)CCCN(C)C)ccc2O1
InChI	InChI=1S/C34H59N5O6/c1-25-22-39(26(2)24-40)34(43)29-21-28(35-32(41)14-11-18-36(4)5)16-17-30(29)45-27(3)13-9-10-20-44-31(25)23-38(8)33(42)15-12-19-37(6)7/h16-17,21,25-27,31,40H,9-15,18-20,22-24H2,1-8H3,(H,35,41)/t25-,26+,27+,31-/m0/s1
InChIKey	CQAPGXQILCXECR-QUULSXEQSA-N

ChEBI Ontology

Outgoing Relation(s)
	4-(dimethylamino)-N-[(3R,9R,10S)-9-[[[4-(dimethylamino)-1-oxobutyl]-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]butanamide (CHEBI:128743) is a azamacrocycle (CHEBI:52898)
	4-(dimethylamino)-N-[(3R,9R,10S)-9-[[[4-(dimethylamino)-1-oxobutyl]-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]butanamide (CHEBI:128743) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-40297	LINCS