2-[[3-cyclohexyl-2-(furan-3-yl)imidazol-4-yl]carbonylamino]-3-(3-ethanoyl-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 2-[[3-cyclohexyl-2-(furan-3-yl)imidazol-4-yl]carbonylamino]-3-(3-ethanoyl-4-oxidanyl-phenyl)propanoic acid Openeye Name: 3-(3-acetyl-4-hydroxy-phenyl)-2-[[3-cyclohexyl-2-(3-furyl)imidazole-4-carbonyl]amino]propanoic acid CAS Name: 3-(3-acetyl-4-hydroxyphenyl)-2-[[[3-cyclohexyl-2-(3-furanyl)-4-imidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(3-acetyl-4-hydroxyphenyl)-2-[[3-cyclohexyl-2-(furan-3-yl)imidazole-4-carbonyl]amino]propanoic acid Traditional Name: 3-(3-acetyl-4-hydroxy-phenyl)-2-[[3-cyclohexyl-2-(3-furyl)imidazole-4-carbonyl]amino]propionic acid Formula: C25H27N3O6 MolecularWeight: 465.49838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)CC(C(=O)O)NC(=O)C2=CN=C(N2C3CCCCC3)C4=COC=C4)O

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)CC(C(=O)O)NC(=O)C2=CN=C(N2C3CCCCC3)C4=COC=C4)O

InChI

InChI=1S/C25H27N3O6/c1-15(29)19-11-16(7-8-22(19)30)12-20(25(32)33)27-24(31)21-13-26-23(17-9-10-34-14-17)28(21)18-5-3-2-4-6-18/h7-11,13-14,18,20,30H,2-6,12H2,1H3,(H,27,31)(H,32,33)