1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10R)-9-[[(3,4-dichlorophenyl)methyl-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]urea (CHEBI:129546)

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CHEBI:129546 - 1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10R)-9-[[(3,4-dichlorophenyl)methyl-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]urea

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ChEBI ID	CHEBI:129546
ChEBI Name	1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10R)-9-[[(3,4-dichlorophenyl)methyl-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]urea
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C37H46Cl2N4O7
Net Charge	0
Average Mass	729.702
Monoisotopic Mass	728.27436
SMILES	C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
InChI	InChI=1S/C37H46Cl2N4O7/c1-23-18-43(24(2)21-44)36(45)29-16-27(40-37(46)41-28-10-13-33-34(17-28)49-22-48-33)9-12-32(29)50-25(3)7-5-6-14-47-35(23)20-42(4)19-26-8-11-30(38)31(39)15-26/h8-13,15-17,23-25,35,44H,5-7,14,18-22H2,1-4H3,(H2,40,41,46)/t23-,24-,25+,35-/m1/s1
InChIKey	APSCYXRJDHETQP-SYVPVYNLSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10R)-9-[[(3,4-dichlorophenyl)methyl-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]urea (CHEBI:129546) is a azamacrocycle (CHEBI:52898)
	1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10R)-9-[[(3,4-dichlorophenyl)methyl-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]urea (CHEBI:129546) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-41097	LINCS