N-[(3S,9R,10R)-9-[(dimethylamino)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]-4-pyridinecarboxamide (CHEBI:117643)

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CHEBI:117643 - N-[(3S,9R,10R)-9-[(dimethylamino)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]-4-pyridinecarboxamide

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ChEBI ID	CHEBI:117643
ChEBI Name	N-[(3S,9R,10R)-9-[(dimethylamino)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]-4-pyridinecarboxamide
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Downloads	Molfile

Formula	C29H42N4O5
Net Charge	0
Average Mass	526.678
Monoisotopic Mass	526.31552
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)C
InChI	InChI=1S/C29H42N4O5/c1-20-17-33(21(2)19-34)29(36)25-16-24(31-28(35)23-11-13-30-14-12-23)9-10-26(25)38-22(3)8-6-7-15-37-27(20)18-32(4)5/h9-14,16,20-22,27,34H,6-8,15,17-19H2,1-5H3,(H,31,35)/t20-,21+,22+,27+/m1/s1
InChIKey	FBKKOHUHBUWDTB-HLIRBWCUSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9R,10R)-9-[(dimethylamino)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]-4-pyridinecarboxamide (CHEBI:117643) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9R,10R)-9-[(dimethylamino)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]-4-pyridinecarboxamide (CHEBI:117643) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-29092	LINCS