4-(dimethylamino)-N-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-[(4-methoxyphenyl)sulfonylamino]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide (CHEBI:129605)

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CHEBI:129605 - 4-(dimethylamino)-N-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-[(4-methoxyphenyl)sulfonylamino]-3,10-dimethyl-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:129605
ChEBI Name	4-(dimethylamino)-N-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-[(4-methoxyphenyl)sulfonylamino]-3,10-dimethyl-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	C35H54N4O8S
Net Charge	0
Average Mass	690.904
Monoisotopic Mass	690.36624
SMILES	COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)CCCN(C)C)OCCCC[C@@H](C)O3)cc1
InChI	InChI=1S/C35H54N4O8S/c1-25-22-39(26(2)24-40)35(42)31-21-28(36-48(43,44)30-16-14-29(45-7)15-17-30)13-18-32(31)47-27(3)11-8-9-20-46-33(25)23-38(6)34(41)12-10-19-37(4)5/h13-18,21,25-27,33,36,40H,8-12,19-20,22-24H2,1-7H3/t25-,26+,27+,33-/m0/s1
InChIKey	QCLYTDNFGCCWFB-QTLXSIBASA-N

ChEBI Ontology

Outgoing Relation(s)
	4-(dimethylamino)-N-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-[(4-methoxyphenyl)sulfonylamino]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide (CHEBI:129605) is a azamacrocycle (CHEBI:52898)
	4-(dimethylamino)-N-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-[(4-methoxyphenyl)sulfonylamino]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide (CHEBI:129605) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-41156	LINCS