N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide (CHEBI:110908)

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CHEBI:110908 - N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide

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ChEBI ID	CHEBI:110908
ChEBI Name	N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide
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Downloads	Molfile

Formula	C36H48N4O5
Net Charge	0
Average Mass	616.803
Monoisotopic Mass	616.36247
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)Cc1ccncc1
InChI	InChI=1S/C36H48N4O5/c1-26-22-40(27(2)25-41)36(43)32-21-31(38-35(42)20-29-11-6-5-7-12-29)13-14-33(32)45-28(3)10-8-9-19-44-34(26)24-39(4)23-30-15-17-37-18-16-30/h5-7,11-18,21,26-28,34,41H,8-10,19-20,22-25H2,1-4H3,(H,38,42)/t26-,27+,28+,34-/m1/s1
InChIKey	NYAGJJIVOVZRJD-SLCANDRHSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide (CHEBI:110908) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide (CHEBI:110908) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-22352	LINCS