N-[(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]cyclohexanecarboxamide (CHEBI:128940)

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CHEBI:128940 - N-[(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]cyclohexanecarboxamide

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ChEBI ID	CHEBI:128940
ChEBI Name	N-[(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]cyclohexanecarboxamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C36H51Cl2N3O5
Net Charge	0
Average Mass	676.726
Monoisotopic Mass	675.32058
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
InChI	InChI=1S/C36H51Cl2N3O5/c1-24-20-41(25(2)23-42)36(44)30-19-29(39-35(43)28-11-6-5-7-12-28)14-16-33(30)46-26(3)10-8-9-17-45-34(24)22-40(4)21-27-13-15-31(37)32(38)18-27/h13-16,18-19,24-26,28,34,42H,5-12,17,20-23H2,1-4H3,(H,39,43)/t24-,25+,26+,34+/m1/s1
InChIKey	GIJXROWDOWXZEB-IUVSGJEMSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(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]cyclohexanecarboxamide (CHEBI:128940) is a azamacrocycle (CHEBI:52898)
	N-[(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]cyclohexanecarboxamide (CHEBI:128940) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-40492	LINCS