4-(dimethylamino)-N-[[(3R,9S,10S)-16-(dimethylamino)-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-methylbutanamide (CHEBI:104802)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:104802 - 4-(dimethylamino)-N-[[(3R,9S,10S)-16-(dimethylamino)-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-methylbutanamide

Take structure to advanced search

ChEBI ID	CHEBI:104802
ChEBI Name	4-(dimethylamino)-N-[[(3R,9S,10S)-16-(dimethylamino)-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-methylbutanamide
Stars
Downloads	Molfile

Formula	C30H52N4O5
Net Charge	0
Average Mass	548.769
Monoisotopic Mass	548.39377
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(N(C)C)ccc2O1
InChI	InChI=1S/C30H52N4O5/c1-22-19-34(23(2)21-35)30(37)26-18-25(32(6)7)14-15-27(26)39-24(3)12-9-10-17-38-28(22)20-33(8)29(36)13-11-16-31(4)5/h14-15,18,22-24,28,35H,9-13,16-17,19-21H2,1-8H3/t22-,23-,24+,28+/m0/s1
InChIKey	FCDOAUZTELHSSL-FLSMRUOLSA-N

ChEBI Ontology

Outgoing Relation(s)
	4-(dimethylamino)-N-[[(3R,9S,10S)-16-(dimethylamino)-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-methylbutanamide (CHEBI:104802) is a azamacrocycle (CHEBI:52898)
	4-(dimethylamino)-N-[[(3R,9S,10S)-16-(dimethylamino)-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-methylbutanamide (CHEBI:104802) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-16165	LINCS