N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N,4-dimethylbenzenesulfonamide (CHEBI:97012)

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CHEBI:97012 - N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N,4-dimethylbenzenesulfonamide

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ChEBI ID	CHEBI:97012
ChEBI Name	N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N,4-dimethylbenzenesulfonamide
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Downloads	Molfile

Formula	C23H35N5O5S
Net Charge	0
Average Mass	493.630
Monoisotopic Mass	493.23589
SMILES	Cc1ccc(S(=O)(=O)N(C)C[C@@H]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@H]2C)cc1
InChI	InChI=1S/C23H35N5O5S/c1-17-7-9-21(10-8-17)34(31,32)26(4)14-22-18(2)12-28(19(3)15-29)23(30)6-5-11-27-13-20(16-33-22)24-25-27/h7-10,13,18-19,22,29H,5-6,11-12,14-16H2,1-4H3/t18-,19+,22+/m1/s1
InChIKey	DGDOMSZWPVXBGZ-DXIQSLLYSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N,4-dimethylbenzenesulfonamide (CHEBI:97012) is a azamacrocycle (CHEBI:52898)
	N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N,4-dimethylbenzenesulfonamide (CHEBI:97012) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-8391	LINCS