N-[(3S,9S,10R)-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]-3,5-dimethyl-4-isoxazolesulfonamide (CHEBI:130000)

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CHEBI:130000 - N-[(3S,9S,10R)-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]-3,5-dimethyl-4-isoxazolesulfonamide

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ChEBI ID	CHEBI:130000
ChEBI Name	N-[(3S,9S,10R)-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]-3,5-dimethyl-4-isoxazolesulfonamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C35H48N4O9S
Net Charge	0
Average Mass	700.855
Monoisotopic Mass	700.31420
SMILES	Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc3c(c1)OCO3)OCCCC[C@H](C)O2
InChI	InChI=1S/C35H48N4O9S/c1-22-17-39(23(2)20-40)35(41)29-16-28(37-49(42,43)34-25(4)36-48-26(34)5)11-13-30(29)47-24(3)9-7-8-14-44-33(22)19-38(6)18-27-10-12-31-32(15-27)46-21-45-31/h10-13,15-16,22-24,33,37,40H,7-9,14,17-21H2,1-6H3/t22-,23-,24+,33-/m1/s1
InChIKey	JMAGDYLBMGAGJH-PLIFDBFSSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9S,10R)-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]-3,5-dimethyl-4-isoxazolesulfonamide (CHEBI:130000) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9S,10R)-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]-3,5-dimethyl-4-isoxazolesulfonamide (CHEBI:130000) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-41551	LINCS