N-[(3R,9R,10S)-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]-2-phenylacetamide (CHEBI:104609)

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CHEBI:104609 - N-[(3R,9R,10S)-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]-2-phenylacetamide

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ChEBI ID	CHEBI:104609
ChEBI Name	N-[(3R,9R,10S)-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]-2-phenylacetamide
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Downloads	Molfile

Formula	C33H49N3O5
Net Charge	0
Average Mass	567.771
Monoisotopic Mass	567.36722
SMILES	CCCN(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C
InChI	InChI=1S/C33H49N3O5/c1-6-17-35(5)22-31-24(2)21-36(25(3)23-37)33(39)29-20-28(34-32(38)19-27-13-8-7-9-14-27)15-16-30(29)41-26(4)12-10-11-18-40-31/h7-9,13-16,20,24-26,31,37H,6,10-12,17-19,21-23H2,1-5H3,(H,34,38)/t24-,25+,26+,31-/m0/s1
InChIKey	HWWNGGYYBIBPCQ-PXFJVXAFSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3R,9R,10S)-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]-2-phenylacetamide (CHEBI:104609) is a azamacrocycle (CHEBI:52898)
	N-[(3R,9R,10S)-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]-2-phenylacetamide (CHEBI:104609) is a lactam (CHEBI:24995)

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LSM-15972	LINCS