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CHEBI:45094 - 3-cyclohexyl-1-[2-(methyl{[(3R)-1-methylpiperidin-3-yl]methyl}amino)-2-oxoethyl]-2-phenyl-1H-indole-6-carboxylic acid

ChEBI IDCHEBI:45094
ChEBI Name3-cyclohexyl-1-[2-(methyl{[(3R)-1-methylpiperidin-3-yl]methyl}amino)-2-oxoethyl]-2-phenyl-1H-indole-6-carboxylic acid
Stars
ASCII Name3-cyclohexyl-1-[2-(methyl{[(3R)-1-methylpiperidin-3-yl]methyl}amino)-2-oxoethyl]-2-phenyl-1H-indole-6-carboxylic acid
Last Modified3 March 2008
DownloadsMolfile
FormulaC31H39N3O3
Net Charge0
Average Mass501.671
Monoisotopic Mass501.29914
SMILES[H]OC(=O)c1c([H])c([H])c2c(C3([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])c(-c3c([H])c([H])c([H])c([H])c3[H])n(C([H])([H])C(=O)N(C([H])([H])[H])C([H])([H])[C@@]3([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[H])c2c1[H]
InChIInChI=1S/C31H39N3O3/c1-32-17-9-10-22(19-32)20-33(2)28(35)21-34-27-18-25(31(36)37)15-16-26(27)29(23-11-5-3-6-12-23)30(34)24-13-7-4-8-14-24/h4,7-8,13-16,18,22-23H,3,5-6,9-12,17,19-21H2,1-2H3,(H,36,37)/t22-/m1/s1
InChIKeyAWVLDLUQVKNAMT-JOCHJYFZSA-N
ChEBI Ontology
Outgoing Relation(s)
3-cyclohexyl-1-[2-(methyl{[(3R)-1-methylpiperidin-3-yl]methyl}amino)-2-oxoethyl]-2-phenyl-1H-indole-6-carboxylic acid (CHEBI:45094) is a indolecarboxylic acid (CHEBI:38610)
3-cyclohexyl-1-[2-(methyl{[(3R)-1-methylpiperidin-3-yl]methyl}amino)-2-oxoethyl]-2-phenyl-1H-indole-6-carboxylic acid (CHEBI:45094) is a piperidines (CHEBI:26151)
Synonyms  Source
3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-3-YL)METHYL]AMINO}-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACIDPDBeChem
3-cyclohexyl-1-[2-(methyl{[(3R)-1-methylpiperidin-3-yl]methyl}amino)-2-oxoethyl]-2-phenyl-1H-indole-6-carboxylic acidPDBeChem
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