1-[(3R,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-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]-3-(4-methoxyphenyl)urea (CHEBI:128013)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128013 - 1-[(3R,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-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]-3-(4-methoxyphenyl)urea

Take structure to advanced search

ChEBI ID	CHEBI:128013
ChEBI Name	1-[(3R,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-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]-3-(4-methoxyphenyl)urea
Stars
Last Modified	3 March 2016
Downloads	Molfile

Formula	C37H48Cl2N4O6
Net Charge	0
Average Mass	715.719
Monoisotopic Mass	714.29509
SMILES	COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1
InChI	InChI=1S/C37H48Cl2N4O6/c1-24-20-43(25(2)23-44)36(45)31-19-29(41-37(46)40-28-10-13-30(47-5)14-11-28)12-16-34(31)49-26(3)8-6-7-17-48-35(24)22-42(4)21-27-9-15-32(38)33(39)18-27/h9-16,18-19,24-26,35,44H,6-8,17,20-23H2,1-5H3,(H2,40,41,46)/t24-,25-,26+,35+/m0/s1
InChIKey	YUYBEPSVBUXRNH-YUAZXLJXSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3R,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-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]-3-(4-methoxyphenyl)urea (CHEBI:128013) is a azamacrocycle (CHEBI:52898)
	1-[(3R,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-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]-3-(4-methoxyphenyl)urea (CHEBI:128013) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-39569	LINCS