(3S,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:104608)

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CHEBI:104608 - (3S,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one

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ChEBI ID	CHEBI:104608
ChEBI Name	(3S,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
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Downloads	Molfile

Formula	C30H46N4O4
Net Charge	0
Average Mass	526.722
Monoisotopic Mass	526.35191
SMILES	C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)Cc1ccncc1
InChI	InChI=1S/C30H46N4O4/c1-22-18-34(23(2)21-35)30(36)27-17-26(32(4)5)10-11-28(27)38-24(3)9-7-8-16-37-29(22)20-33(6)19-25-12-14-31-15-13-25/h10-15,17,22-24,29,35H,7-9,16,18-21H2,1-6H3/t22-,23-,24+,29-/m1/s1
InChIKey	ZQLCRBSTGDSWQO-IDCDSMMUSA-N

ChEBI Ontology

Outgoing Relation(s)
	(3S,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:104608) is a azamacrocycle (CHEBI:52898)
	(3S,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:104608) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-15971	LINCS