1-(1,3-benzodioxol-5-yl)-3-[(3R,9R,10S)-9-[[1,3-benzodioxol-5-ylmethyl(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:130658)

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CHEBI:130658 - 1-(1,3-benzodioxol-5-yl)-3-[(3R,9R,10S)-9-[[1,3-benzodioxol-5-ylmethyl(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:130658
ChEBI Name	1-(1,3-benzodioxol-5-yl)-3-[(3R,9R,10S)-9-[[1,3-benzodioxol-5-ylmethyl(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	C38H48N4O9
Net Charge	0
Average Mass	704.821
Monoisotopic Mass	704.34213
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)Nc3ccc4c(c3)OCO4)ccc2O1
InChI	InChI=1S/C38H48N4O9/c1-24-18-42(25(2)21-43)37(44)30-16-28(39-38(45)40-29-10-13-33-35(17-29)50-23-48-33)9-12-31(30)51-26(3)7-5-6-14-46-36(24)20-41(4)19-27-8-11-32-34(15-27)49-22-47-32/h8-13,15-17,24-26,36,43H,5-7,14,18-23H2,1-4H3,(H2,39,40,45)/t24-,25+,26+,36-/m0/s1
InChIKey	ITDNMFIUSPAAPJ-JNVQPCQUSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-(1,3-benzodioxol-5-yl)-3-[(3R,9R,10S)-9-[[1,3-benzodioxol-5-ylmethyl(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:130658) is a azamacrocycle (CHEBI:52898)
	1-(1,3-benzodioxol-5-yl)-3-[(3R,9R,10S)-9-[[1,3-benzodioxol-5-ylmethyl(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:130658) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-42207	LINCS