N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide (CHEBI:103581)

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CHEBI:103581 - N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide

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ChEBI ID	CHEBI:103581
ChEBI Name	N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C32H47N5O6
Net Charge	0
Average Mass	597.757
Monoisotopic Mass	597.35263
SMILES	CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)c1ccncc1)OCCCC[C@H](C)O2
InChI	InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23+,24+,29+/m1/s1
InChIKey	TYGOPRMPKRHVEQ-MSCBGTKOSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide (CHEBI:103581) is a azamacrocycle (CHEBI:52898)
	N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide (CHEBI:103581) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-14925	LINCS