1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]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:126028)

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CHEBI:126028 - 1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]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:126028
ChEBI Name	1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]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	C34H48N4O7
Net Charge	0
Average Mass	624.779
Monoisotopic Mass	624.35230
SMILES	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CC2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O
InChI	InChI=1S/C34H48N4O7/c1-22-17-38(23(2)20-39)33(40)28-15-26(35-34(41)36-27-11-13-30-31(16-27)44-21-43-30)10-12-29(28)45-24(3)7-5-6-14-42-32(22)19-37(4)18-25-8-9-25/h10-13,15-16,22-25,32,39H,5-9,14,17-21H2,1-4H3,(H2,35,36,41)/t22-,23+,24-,32+/m0/s1
InChIKey	HYEFXMLKRFQNEN-PWRHEVILSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]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:126028) is a azamacrocycle (CHEBI:52898)
	1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]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:126028) is a lactam (CHEBI:24995)

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