N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide (CHEBI:104571)

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CHEBI:104571 - N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide

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ChEBI ID	CHEBI:104571
ChEBI Name	N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
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Downloads	Molfile

Formula	C31H47N3O7S
Net Charge	0
Average Mass	605.798
Monoisotopic Mass	605.31347
SMILES	COc1ccc(CN(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NS(C)(=O)=O)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
InChI	InChI=1S/C31H47N3O7S/c1-22-18-34(23(2)21-35)31(36)28-17-26(32-42(6,37)38)12-15-29(28)41-24(3)9-7-8-16-40-30(22)20-33(4)19-25-10-13-27(39-5)14-11-25/h10-15,17,22-24,30,32,35H,7-9,16,18-21H2,1-6H3/t22-,23-,24-,30+/m0/s1
InChIKey	XIVCQDXGZVVHDO-ZUHGBKBGSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide (CHEBI:104571) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide (CHEBI:104571) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-15935	LINCS