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CHEBI:42732 - 1-[2-(4-CYANO-BENZYLAMINO)-3-(3-METHYL-3H-IMIDAZOL-4-YL)-PROPIONYL]-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE

Default Structure
ChEBI IDCHEBI:42732
ChEBI Name1-[2-(4-CYANO-BENZYLAMINO)-3-(3-METHYL-3H-IMIDAZOL-4-YL)-PROPIONYL]-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC31H28N6O
Net Charge0
Average Mass500.606
Monoisotopic Mass500.23246
SMILES[H]c1nc([H])n(C([H])([H])[H])c1C([H])([H])[C@@]([H])(C(=O)N1C([H])([H])C(c2c([H])c([H])c([H])c3c([H])c([H])c([H])c([H])c23)=C(C#N)C([H])([H])C1([H])[H])N([H])C([H])([H])c1c([H])c([H])c(C#N)c([H])c1[H]
InChIInChI=1S/C31H28N6O/c1-36-21-34-19-26(36)15-30(35-18-23-11-9-22(16-32)10-12-23)31(38)37-14-13-25(17-33)29(20-37)28-8-4-6-24-5-2-3-7-27(24)28/h2-12,19,21,30,35H,13-15,18,20H2,1H3/t30-/m0/s1
InChIKeyADDOXKIOPBTSEG-PMERELPUSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[2-(4-CYANO-BENZYLAMINO)-3-(3-METHYL-3H-IMIDAZOL-4-YL)-PROPIONYL]-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE (CHEBI:42732) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1-[2-(4-CYANO-BENZYLAMINO)-3-(3-METHYL-3H-IMIDAZOL-4-YL)-PROPIONYL]-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILEPDBeChem
1-[N-(4-cyanobenzyl)-3-methyl-L-histidyl]-5-naphthalen-1-yl-1,2,3,6-tetrahydropyridine-4-carbonitrilePDBeChem
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