4-(dimethylamino)-N-[(3S,9S,10R)-9-[(dimethylamino)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]butanamide (CHEBI:104570)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:104570 - 4-(dimethylamino)-N-[(3S,9S,10R)-9-[(dimethylamino)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]butanamide

Take structure to advanced search

ChEBI ID	CHEBI:104570
ChEBI Name	4-(dimethylamino)-N-[(3S,9S,10R)-9-[(dimethylamino)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]butanamide
Stars
Downloads	Molfile

Formula	C29H50N4O5
Net Charge	0
Average Mass	534.742
Monoisotopic Mass	534.37812
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)C
InChI	InChI=1S/C29H50N4O5/c1-21-18-33(22(2)20-34)29(36)25-17-24(30-28(35)12-10-15-31(4)5)13-14-26(25)38-23(3)11-8-9-16-37-27(21)19-32(6)7/h13-14,17,21-23,27,34H,8-12,15-16,18-20H2,1-7H3,(H,30,35)/t21-,22+,23+,27-/m1/s1
InChIKey	LTGDTYHJVMKPBL-GRSOWLQASA-N

ChEBI Ontology

Outgoing Relation(s)
	4-(dimethylamino)-N-[(3S,9S,10R)-9-[(dimethylamino)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]butanamide (CHEBI:104570) is a azamacrocycle (CHEBI:52898)
	4-(dimethylamino)-N-[(3S,9S,10R)-9-[(dimethylamino)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]butanamide (CHEBI:104570) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-15934	LINCS