N-[(3S,9S,10S)-9-[[benzenesulfonyl(methyl)amino]methyl]-12-[(2S)-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:129638)

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CHEBI:129638 - N-[(3S,9S,10S)-9-[[benzenesulfonyl(methyl)amino]methyl]-12-[(2S)-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:129638
ChEBI Name	N-[(3S,9S,10S)-9-[[benzenesulfonyl(methyl)amino]methyl]-12-[(2S)-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	C33H46N4O9S2
Net Charge	0
Average Mass	706.884
Monoisotopic Mass	706.27062
SMILES	Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c1ccccc1)OCCCC[C@H](C)O2
InChI	InChI=1S/C33H46N4O9S2/c1-22-19-37(23(2)21-38)33(39)29-18-27(35-47(40,41)32-25(4)34-46-26(32)5)15-16-30(29)45-24(3)12-10-11-17-44-31(22)20-36(6)48(42,43)28-13-8-7-9-14-28/h7-9,13-16,18,22-24,31,35,38H,10-12,17,19-21H2,1-6H3/t22-,23-,24-,31+/m0/s1
InChIKey	MZDMZQUGUXZKEH-ILSPQUDCSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9S,10S)-9-[[benzenesulfonyl(methyl)amino]methyl]-12-[(2S)-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:129638) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9S,10S)-9-[[benzenesulfonyl(methyl)amino]methyl]-12-[(2S)-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:129638) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-41189	LINCS