N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-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:129559)

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CHEBI:129559 - N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-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:129559
ChEBI Name	N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-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	C33H47N5O9S2
Net Charge	0
Average Mass	721.899
Monoisotopic Mass	721.28152
SMILES	COc1ccc(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4cn(C)cn4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1
InChI	InChI=1S/C33H47N5O9S2/c1-23-18-38(24(2)21-39)33(40)29-17-26(35-48(41,42)32-20-36(4)22-34-32)10-15-30(29)47-25(3)9-7-8-16-46-31(23)19-37(5)49(43,44)28-13-11-27(45-6)12-14-28/h10-15,17,20,22-25,31,35,39H,7-9,16,18-19,21H2,1-6H3/t23-,24+,25-,31-/m0/s1
InChIKey	SFUGSXPFEQWGAS-PBANKSGMSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-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:129559) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-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:129559) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-41110	LINCS