N-[(3S,9R,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]-1-methyl-4-imidazolesulfonamide (CHEBI:126814)

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CHEBI:126814 - N-[(3S,9R,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]-1-methyl-4-imidazolesulfonamide

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ChEBI ID	CHEBI:126814
ChEBI Name	N-[(3S,9R,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]-1-methyl-4-imidazolesulfonamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C30H47N5O6S
Net Charge	0
Average Mass	605.802
Monoisotopic Mass	605.32471
SMILES	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CC2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2C1=O
InChI	InChI=1S/C30H47N5O6S/c1-21-15-35(22(2)19-36)30(37)26-14-25(32-42(38,39)29-18-34(5)20-31-29)11-12-27(26)41-23(3)8-6-7-13-40-28(21)17-33(4)16-24-9-10-24/h11-12,14,18,20-24,28,32,36H,6-10,13,15-17,19H2,1-5H3/t21-,22+,23-,28-/m0/s1
InChIKey	DFAHTHVTMMOLJD-KYALDGGBSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9R,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]-1-methyl-4-imidazolesulfonamide (CHEBI:126814) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9R,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]-1-methyl-4-imidazolesulfonamide (CHEBI:126814) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-38377	LINCS