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CHEBI:42886 - 6-CARBAMIMIDOYL-2-[5-(3-DIETHYLCARBAMOYL-PHENYL)-2-HYDROXY-INDAN-1-YL]-HEXANOIC ACID

Default Structure
ChEBI IDCHEBI:42886
ChEBI Name6-CARBAMIMIDOYL-2-[5-(3-DIETHYLCARBAMOYL-PHENYL)-2-HYDROXY-INDAN-1-YL]-HEXANOIC ACID
Stars
DownloadsMolfile
FormulaC27H35N3O4
Net Charge0
Average Mass465.594
Monoisotopic Mass465.26276
SMILES[H]/N=C(\N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])[C@@]1([H])c2c([H])c([H])c(-c3c([H])c([H])c([H])c(C(=O)N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])c3[H])c([H])c2C([H])([H])[C@]1([H])O[H]
InChIInChI=1S/C27H35N3O4/c1-3-30(4-2)26(32)19-9-7-8-17(14-19)18-12-13-21-20(15-18)16-23(31)25(21)22(27(33)34)10-5-6-11-24(28)29/h7-9,12-15,22-23,25,31H,3-6,10-11,16H2,1-2H3,(H3,28,29)(H,33,34)/t22-,23+,25-/m1/s1
InChIKeyVACZRUKFUJTPNR-GIFXNVAJSA-N
ChEBI Ontology
Outgoing Relation(s)
6-CARBAMIMIDOYL-2-[5-(3-DIETHYLCARBAMOYL-PHENYL)-2-HYDROXY-INDAN-1-YL]-HEXANOIC ACID (CHEBI:42886) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R,7E)-7-amino-2-{(1S,2S)-5-[3-(diethylcarbamoyl)phenyl]-2-hydroxy-2,3-dihydro-1H-inden-1-yl}-7-iminoheptanoic acidPDBeChem
6-CARBAMIMIDOYL-2-[5-(3-DIETHYLCARBAMOYL-PHENYL)-2-HYDROXY-INDAN-1-YL]-HEXANOIC ACIDPDBeChem
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