2-[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl]acetic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester (CHEBI:103901)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:103901 - 2-[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl]acetic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester

Take structure to advanced search

ChEBI ID	CHEBI:103901
ChEBI Name	2-[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl]acetic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester
Stars
Downloads	Molfile

Formula	C26H36ClN2O2
Net Charge	+1
Average Mass	444.039
Monoisotopic Mass	443.24598
SMILES	CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCCCC2
InChI	InChI=1S/C26H36ClN2O2/c1-18(2)22-13-8-19(3)15-24(22)31-26(30)17-28-16-23(20-9-11-21(27)12-10-20)29-14-6-4-5-7-25(28)29/h9-12,16,18-19,22,24H,4-8,13-15,17H2,1-3H3/q+1/t19-,22+,24-/m1/s1
InChIKey	OWJNNMGFSZEVIL-WNOPAQSVSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl]acetic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester (CHEBI:103901) is a α-amino acid ester (CHEBI:46874)

Manual Xrefs	Databases
LSM-15254	LINCS