N-[(3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-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-(dimethylamino)butanamide (CHEBI:126155)

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CHEBI:126155 - N-[(3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-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-(dimethylamino)butanamide

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ChEBI ID	CHEBI:126155
ChEBI Name	N-[(3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-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-(dimethylamino)butanamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C32H54N4O5
Net Charge	0
Average Mass	574.807
Monoisotopic Mass	574.40942
SMILES	C[C@@H]1CCCCO[C@@H](CN(C)CC2CC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O1
InChI	InChI=1S/C32H54N4O5/c1-23-19-36(24(2)22-37)32(39)28-18-27(33-31(38)11-9-16-34(4)5)14-15-29(28)41-25(3)10-7-8-17-40-30(23)21-35(6)20-26-12-13-26/h14-15,18,23-26,30,37H,7-13,16-17,19-22H2,1-6H3,(H,33,38)/t23-,24+,25+,30-/m0/s1
InChIKey	IBLZWJIIXOOVMF-RPQPUBLWSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-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-(dimethylamino)butanamide (CHEBI:126155) is a azamacrocycle (CHEBI:52898)
	N-[(3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-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-(dimethylamino)butanamide (CHEBI:126155) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-37722	LINCS