1-[(3S,9R,10R)-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-(1-naphthalenyl)urea (CHEBI:126924)

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CHEBI:126924 - 1-[(3S,9R,10R)-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-(1-naphthalenyl)urea

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ChEBI ID	CHEBI:126924
ChEBI Name	1-[(3S,9R,10R)-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-(1-naphthalenyl)urea
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C40H48Cl2N4O5
Net Charge	0
Average Mass	735.753
Monoisotopic Mass	734.30018
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
InChI	InChI=1S/C40H48Cl2N4O5/c1-26-22-46(27(2)25-47)39(48)33-21-31(43-40(49)44-36-14-9-12-30-11-5-6-13-32(30)36)16-18-37(33)51-28(3)10-7-8-19-50-38(26)24-45(4)23-29-15-17-34(41)35(42)20-29/h5-6,9,11-18,20-21,26-28,38,47H,7-8,10,19,22-25H2,1-4H3,(H2,43,44,49)/t26-,27+,28+,38+/m1/s1
InChIKey	AXRFBZDPAKRYDH-CUAXOZEYSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3S,9R,10R)-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-(1-naphthalenyl)urea (CHEBI:126924) is a azamacrocycle (CHEBI:52898)
	1-[(3S,9R,10R)-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-(1-naphthalenyl)urea (CHEBI:126924) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-38487	LINCS