EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:42753 - METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE

Default Structure
ChEBI IDCHEBI:42753
ChEBI NameMETHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC25H27N4O4
Net Charge+1
Average Mass447.515
Monoisotopic Mass447.20268
SMILES[H]c1c([H])c(C(N([H])[H])=[N+]([H])[H])c([H])c(C([H])([H])[C@@]([H])(C(=O)OC([H])([H])[H])[C@]([H])(N([H])C(=O)c2c([H])c([H])c(-c3c([H])c([H])[n+]([O-])c([H])c3[H])c([H])c2[H])C([H])([H])[H])c1[H]
InChIInChI=1S/C25H26N4O4/c1-16(22(25(31)33-2)15-17-4-3-5-21(14-17)23(26)27)28-24(30)20-8-6-18(7-9-20)19-10-12-29(32)13-11-19/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,28,30)/p+1/t16-,22-/m1/s1
InChIKeyPFGVNLZDWRZPJW-OPAMFIHVSA-O
ChEBI Ontology
Outgoing Relation(s)
METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE (CHEBI:42753) is a unclassifieds (CHEBI:27189)
Synonyms  Source
amino{3-[(2R,3R)-2-(methoxycarbonyl)-3-({[4-(1-oxidopyridin-4-yl)phenyl]carbonyl}amino)butyl]phenyl}methaniminiumPDBeChem
METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATEPDBeChem
Manual XrefsDatabases
FXVPDBeChem