N-[(3S,9S,10S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]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:128162)

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CHEBI:128162 - N-[(3S,9S,10S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]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:128162
ChEBI Name	N-[(3S,9S,10S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]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	C37H53N3O7
Net Charge	0
Average Mass	651.845
Monoisotopic Mass	651.38835
SMILES	C[C@H]1CCCCO[C@H](CN(C)Cc2ccc3c(c2)OCO3)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1
InChI	InChI=1S/C37H53N3O7/c1-25-20-40(26(2)23-41)37(43)31-19-30(38-36(42)29-11-6-5-7-12-29)14-16-32(31)47-27(3)10-8-9-17-44-35(25)22-39(4)21-28-13-15-33-34(18-28)46-24-45-33/h13-16,18-19,25-27,29,35,41H,5-12,17,20-24H2,1-4H3,(H,38,42)/t25-,26-,27-,35+/m0/s1
InChIKey	VMFBELCAXNXFGD-BYIYZAFRSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9S,10S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]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:128162) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9S,10S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]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:128162) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-39717	LINCS