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CHEBI:46012 - 2-{(5-{[BUTYL-(2-CYCLOHEXYL-ETHYL)-AMINO]-METHYL}-2'-METHYL-BIPHENYL-2-CARBONYL)-AMINO]-4-METHYLSULFANYL-BUTYRIC ACID

Default Structure
ChEBI IDCHEBI:46012
ChEBI Name2-{(5-{[BUTYL-(2-CYCLOHEXYL-ETHYL)-AMINO]-METHYL}-2'-METHYL-BIPHENYL-2-CARBONYL)-AMINO]-4-METHYLSULFANYL-BUTYRIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC32H46N2O3S
Net Charge0
Average Mass538.798
Monoisotopic Mass538.32291
SMILES[H]OC(=O)[C@@]([H])(N([H])C(=O)c1c([H])c([H])c(C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])c([H])c1-c1c([H])c([H])c([H])c([H])c1C([H])([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H]
InChIInChI=1S/C32H46N2O3S/c1-4-5-19-34(20-17-25-12-7-6-8-13-25)23-26-15-16-28(29(22-26)27-14-10-9-11-24(27)2)31(35)33-30(32(36)37)18-21-38-3/h9-11,14-16,22,25,30H,4-8,12-13,17-21,23H2,1-3H3,(H,33,35)(H,36,37)/t30-/m0/s1
InChIKeyGAQHYZNOMLXSEA-PMERELPUSA-N
ChEBI Ontology
Outgoing Relation(s)
2-{(5-{[BUTYL-(2-CYCLOHEXYL-ETHYL)-AMINO]-METHYL}-2'-METHYL-BIPHENYL-2-CARBONYL)-AMINO]-4-METHYLSULFANYL-BUTYRIC ACID (CHEBI:46012) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-{(5-{[BUTYL-(2-CYCLOHEXYL-ETHYL)-AMINO]-METHYL}-2'-METHYL-BIPHENYL-2-CARBONYL)-AMINO]-4-METHYLSULFANYL-BUTYRIC ACIDPDBeChem
N-[(5-{[butyl(2-cyclohexylethyl)amino]methyl}-2'-methylbiphenyl-2-yl)carbonyl]-L-methioninePDBeChem
Manual XrefsDatabases
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