2-[[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-14-(1-oxobutylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-5-yl]methyl]benzoic acid (CHEBI:101626)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:101626 - 2-[[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-14-(1-oxobutylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-5-yl]methyl]benzoic acid

Take structure to advanced search

ChEBI ID	CHEBI:101626
ChEBI Name	2-[[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-14-(1-oxobutylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-5-yl]methyl]benzoic acid
Stars
Downloads	Molfile

Formula	C29H39N3O6
Net Charge	0
Average Mass	525.646
Monoisotopic Mass	525.28389
SMILES	CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccccc1C(=O)O)[C@H](C)CO2
InChI	InChI=1S/C29H39N3O6/c1-6-9-27(33)30-22-12-13-25-24(14-22)28(34)31(4)17-26(37-5)19(2)15-32(20(3)18-38-25)16-21-10-7-8-11-23(21)29(35)36/h7-8,10-14,19-20,26H,6,9,15-18H2,1-5H3,(H,30,33)(H,35,36)/t19-,20-,26-/m1/s1
InChIKey	CYLUOSZFPYOXRH-XMERXJNXSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-14-(1-oxobutylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-5-yl]methyl]benzoic acid (CHEBI:101626) is a azamacrocycle (CHEBI:52898)
	2-[[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-14-(1-oxobutylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-5-yl]methyl]benzoic acid (CHEBI:101626) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-12989	LINCS