N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide (CHEBI:129023)

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CHEBI:129023 - N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide

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ChEBI ID	CHEBI:129023
ChEBI Name	N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C33H51N5O7S
Net Charge	0
Average Mass	661.866
Monoisotopic Mass	661.35092
SMILES	C[C@@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2cn(C)cn2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1
InChI	InChI=1S/C33H51N5O7S/c1-23-18-38(24(2)21-39)33(41)28-17-27(35-32(40)26-12-7-6-8-13-26)14-15-29(28)45-25(3)11-9-10-16-44-30(23)19-37(5)46(42,43)31-20-36(4)22-34-31/h14-15,17,20,22-26,30,39H,6-13,16,18-19,21H2,1-5H3,(H,35,40)/t23-,24+,25+,30+/m0/s1
InChIKey	PWUGLEHJBFSKRW-RZDWVWPCSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide (CHEBI:129023) is a azamacrocycle (CHEBI:52898)
	N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide (CHEBI:129023) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-40575	LINCS