1-cyclohexyl-3-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:106986)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:106986 - 1-cyclohexyl-3-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea

Take structure to advanced search

ChEBI ID	CHEBI:106986
ChEBI Name	1-cyclohexyl-3-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
Stars
Downloads	Molfile

Formula	C32H54N4O5
Net Charge	0
Average Mass	574.807
Monoisotopic Mass	574.40942
SMILES	CCCN(C)C[C@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)NC3CCCCC3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C
InChI	InChI=1S/C32H54N4O5/c1-6-17-35(5)21-30-23(2)20-36(24(3)22-37)31(38)28-19-27(34-32(39)33-26-13-8-7-9-14-26)15-16-29(28)41-25(4)12-10-11-18-40-30/h15-16,19,23-26,30,37H,6-14,17-18,20-22H2,1-5H3,(H2,33,34,39)/t23-,24+,25+,30-/m1/s1
InChIKey	DKJNEIWLBYXYNW-UBRKHCEVSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-cyclohexyl-3-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:106986) is a azamacrocycle (CHEBI:52898)
	1-cyclohexyl-3-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:106986) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-18340	LINCS