EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:43335 - N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)

Default Structure
ChEBI IDCHEBI:43335
ChEBI NameN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC37H44N4O3
Net Charge0
Average Mass592.784
Monoisotopic Mass592.34134
SMILES[H]c1nc(C([H])([H])N2C([H])([H])C([H])([H])C([H])(N(C(=O)c3c([H])c([H])c(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])c([H])c3[H])C([H])([H])c3c([H])c([H])c(-c4c([H])c([H])c(C([H])([H])C(=O)OC([H])([H])[H])c([H])c4[H])c([H])c3[H])C([H])([H])C2([H])[H])n([H])c1[H]
InChIInChI=1S/C37H44N4O3/c1-3-4-5-6-28-7-17-33(18-8-28)37(43)41(34-19-23-40(24-20-34)27-35-38-21-22-39-35)26-30-11-15-32(16-12-30)31-13-9-29(10-14-31)25-36(42)44-2/h7-18,21-22,34H,3-6,19-20,23-27H2,1-2H3,(H,38,39)
InChIKeyJJVQUUYZGJWBPW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL) (CHEBI:43335) is a unclassifieds (CHEBI:27189)
Synonyms  Source
methyl [4'-({[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl][(4-pentylphenyl)carbonyl]amino}methyl)biphenyl-4-yl]acetatePDBeChem
N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)PDBeChem
Manual XrefsDatabases
IH4PDBeChem