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CHEBI:39617 - 6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID

Default Structure
ChEBI IDCHEBI:39617
ChEBI Name6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID
Stars
DownloadsMolfile
FormulaC23H28N2O4
Net Charge0
Average Mass396.487
Monoisotopic Mass396.20491
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(OC([H])([H])[H])c3[H])c([H])c2C([H])([H])[C@]1([H])O[H]
InChIInChI=1S/C23H28N2O4/c1-29-17-6-4-5-14(12-17)15-9-10-18-16(11-15)13-20(26)22(18)19(23(27)28)7-2-3-8-21(24)25/h4-6,9-12,19-20,22,26H,2-3,7-8,13H2,1H3,(H3,24,25)(H,27,28)/t19-,20+,22-/m1/s1
InChIKeyNMOUMGFCBOWPAB-RZUBCFFCSA-N
ChEBI Ontology
Outgoing Relation(s)
6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID (CHEBI:39617) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R,7E)-7-amino-2-[(1S,2S)-2-hydroxy-5-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]-7-iminoheptanoic acidPDBeChem
6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACIDPDBeChem
Manual XrefsDatabases
167PDBeChem