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CHEBI:42259 - (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid

ChEBI IDCHEBI:42259
ChEBI Name(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid
Stars
ASCII Name(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid
Last Modified14 March 2008
DownloadsMolfile
FormulaC26H27N4O3
Net Charge+1
Average Mass443.527
Monoisotopic Mass443.20777
SMILES[H]OC(=O)[C@]([H])(c1c([H])c([H])c(Oc2c([H])c([H])n([C@]([H])(N([H])[H])C([H])([H])[H])c2[H])c([H])c1[H])C([H])([H])c1c([H])c([H])c2c([H])c([H])c(C(N([H])[H])=[N+]([H])[H])c([H])c2c1[H]
InChIInChI=1S/C26H26N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-12,14-16,24H,13,27H2,1H3,(H3,28,29)(H,31,32)/p+1/t16-,24-/m0/s1
InChIKeyFCZIGLIZRGMDGN-FYSMJZIKSA-O
ChEBI Ontology
Outgoing Relation(s)
(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid (CHEBI:42259) has functional parent propionic acid (CHEBI:30768)
(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid (CHEBI:42259) is a N-acylpyrrolidine (CHEBI:46766)
(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid (CHEBI:42259) is a carboxamidine (CHEBI:35359)
(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid (CHEBI:42259) is a naphthalenes (CHEBI:25477)
Synonym  Source
(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acidPDBeChem
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