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CHEBI:47434 - ETHYL-(2-CARBOXY-4-GUANIDINIUM-PHENYL)-CHLOROACETATE

Default Structure
ChEBI IDCHEBI:47434
ChEBI NameETHYL-(2-CARBOXY-4-GUANIDINIUM-PHENYL)-CHLOROACETATE
Stars
DownloadsMolfile
FormulaC12H14ClN3O4
Net Charge0
Average Mass299.714
Monoisotopic Mass299.06728
SMILES[H]/N=C(\N([H])[H])N([H])c1c([H])c([H])c([C@]([H])(Cl)C(=O)OC([H])([H])C([H])([H])[H])c(C(=O)O[H])c1[H]
InChIInChI=1S/C12H14ClN3O4/c1-2-20-11(19)9(13)7-4-3-6(16-12(14)15)5-8(7)10(17)18/h3-5,9H,2H2,1H3,(H,17,18)(H4,14,15,16)/t9-/m0/s1
InChIKeyHIYFNBISGUASFH-VIFPVBQESA-N
ChEBI Ontology
Outgoing Relation(s)
ETHYL-(2-CARBOXY-4-GUANIDINIUM-PHENYL)-CHLOROACETATE (CHEBI:47434) is a unclassifieds (CHEBI:27189)
Synonyms  Source
5-carbamimidamido-2-[(1S)-1-chloro-2-ethoxy-2-oxoethyl]benzoic acidPDBeChem
ETHYL-(2-CARBOXY-4-GUANIDINIUM-PHENYL)-CHLOROACETATEPDBeChem
Manual XrefsDatabases
GISPDBeChem