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CHEBI:41294 - (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({1-[(1E)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]propanoic acid

ChEBI IDCHEBI:41294
ChEBI Name(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({1-[(1E)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]propanoic acid
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ASCII Name(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({1-[(1E)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]propanoic acid
Last Modified26 February 2008
DownloadsMolfile
FormulaC27H30N4O3
Net Charge0
Average Mass458.562
Monoisotopic Mass458.23179
SMILES[H]/N=C(/c1c([H])c([H])c2c([H])c([H])c(C([H])([H])[C@]([H])(C(=O)O[H])c3c([H])c([H])c(OC4([H])C([H])([H])C([H])([H])N(/C(=N\[H])C([H])([H])[H])C([H])([H])C4([H])[H])c([H])c3[H])c([H])c2c1[H])N([H])[H]
InChIInChI=1S/C27H30N4O3/c1-17(28)31-12-10-24(11-13-31)34-23-8-6-20(7-9-23)25(27(32)33)15-18-2-3-19-4-5-21(26(29)30)16-22(19)14-18/h2-9,14,16,24-25,28H,10-13,15H2,1H3,(H3,29,30)(H,32,33)/b28-17-/t25-/m0/s1
InChIKeyFZLDAJVXFYWRCX-PFQJNYNCSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({1-[(1E)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]propanoic acid (CHEBI:41294) has functional parent propionic acid (CHEBI:30768)
(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({1-[(1E)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]propanoic acid (CHEBI:41294) is a N-acylpiperidine (CHEBI:48591)
(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({1-[(1E)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]propanoic acid (CHEBI:41294) is a guanidines (CHEBI:24436)
(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({1-[(1E)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]propanoic acid (CHEBI:41294) is a naphthalenes (CHEBI:25477)
Synonyms  Source
(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACIDPDBeChem
(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({1-[(1E)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]propanoic acidPDBeChem
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