N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:130963)

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CHEBI:130963 - N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-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:130963
ChEBI Name	N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
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Formula	C29H42N4O7S
Net Charge	0
Average Mass	590.743
Monoisotopic Mass	590.27742
SMILES	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(C)(=O)=O)OCCCC[C@H](C)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O
InChI	InChI=1S/C29H42N4O7S/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)40-22(3)8-6-7-15-39-27(20)18-32(4)41(5,37)38/h9-14,16,20-22,27,34H,6-8,15,17-19H2,1-5H3,(H,31,35)/t20-,21+,22-,27+/m0/s1
InChIKey	RGRLROMATPOZOC-JLFWUPFSSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:130963) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:130963) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-42511	LINCS