4-(dimethylamino)-N-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-(thiophen-2-ylsulfonylamino)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide (CHEBI:129142)

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CHEBI:129142 - 4-(dimethylamino)-N-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-(thiophen-2-ylsulfonylamino)-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:129142
ChEBI Name	4-(dimethylamino)-N-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-(thiophen-2-ylsulfonylamino)-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	C32H50N4O7S2
Net Charge	0
Average Mass	666.907
Monoisotopic Mass	666.31209
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)c3cccs3)ccc2O1
InChI	InChI=1S/C32H50N4O7S2/c1-23-20-36(24(2)22-37)32(39)27-19-26(33-45(40,41)31-13-10-18-44-31)14-15-28(27)43-25(3)11-7-8-17-42-29(23)21-35(6)30(38)12-9-16-34(4)5/h10,13-15,18-19,23-25,29,33,37H,7-9,11-12,16-17,20-22H2,1-6H3/t23-,24+,25+,29+/m0/s1
InChIKey	YRAOJEGTHQJVGH-GYKHTSFTSA-N

ChEBI Ontology

Outgoing Relation(s)
	4-(dimethylamino)-N-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-(thiophen-2-ylsulfonylamino)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide (CHEBI:129142) is a azamacrocycle (CHEBI:52898)
	4-(dimethylamino)-N-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-(thiophen-2-ylsulfonylamino)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide (CHEBI:129142) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-40693	LINCS