4-(dimethylamino)-N-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[(1-methyl-4-imidazolyl)sulfonylamino]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide (CHEBI:129541)

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CHEBI:129541 - 4-(dimethylamino)-N-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[(1-methyl-4-imidazolyl)sulfonylamino]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide

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ChEBI ID	CHEBI:129541
ChEBI Name	4-(dimethylamino)-N-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[(1-methyl-4-imidazolyl)sulfonylamino]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C32H52N6O7S
Net Charge	0
Average Mass	664.870
Monoisotopic Mass	664.36182
SMILES	C[C@@H]1CCCCO[C@@H](CN(C)C(=O)CCCN(C)C)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cn(C)cn3)ccc2O1
InChI	InChI=1S/C32H52N6O7S/c1-23-18-38(24(2)21-39)32(41)27-17-26(34-46(42,43)30-20-36(6)22-33-30)13-14-28(27)45-25(3)11-8-9-16-44-29(23)19-37(7)31(40)12-10-15-35(4)5/h13-14,17,20,22-25,29,34,39H,8-12,15-16,18-19,21H2,1-7H3/t23-,24+,25+,29-/m0/s1
InChIKey	HJEAOCUSKKXBDN-RTAAPDIRSA-N

ChEBI Ontology

Outgoing Relation(s)
	4-(dimethylamino)-N-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[(1-methyl-4-imidazolyl)sulfonylamino]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide (CHEBI:129541) is a azamacrocycle (CHEBI:52898)
	4-(dimethylamino)-N-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[(1-methyl-4-imidazolyl)sulfonylamino]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide (CHEBI:129541) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-41092	LINCS