N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:110874)

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CHEBI:110874 - N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide

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ChEBI ID	CHEBI:110874
ChEBI Name	N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
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Formula	C31H46N4O5
Net Charge	0
Average Mass	554.732
Monoisotopic Mass	554.34682
SMILES	CCCN(C)C[C@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)c3ccncc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C
InChI	InChI=1S/C31H46N4O5/c1-6-16-34(5)20-29-22(2)19-35(23(3)21-36)31(38)27-18-26(33-30(37)25-12-14-32-15-13-25)10-11-28(27)40-24(4)9-7-8-17-39-29/h10-15,18,22-24,29,36H,6-9,16-17,19-21H2,1-5H3,(H,33,37)/t22-,23-,24+,29-/m1/s1
InChIKey	UGZNIWWZAWAINA-IDCDSMMUSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:110874) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:110874) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-22318	LINCS