2-[[4-(2-imidazol-1-ylethoxy)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(2-imidazol-1-ylethoxy)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(2-imidazol-1-ylethoxy)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[2-(1-imidazolyl)ethoxy]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(2-imidazol-1-ylethoxy)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(2-imidazol-1-ylethoxy)-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)OCCN2C=CN=C2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)OCCN2C=CN=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4S/c1-31-14-9-21(23(28)29)25-22(27)19-8-7-18(30-13-12-26-11-10-24-16-26)15-20(19)17-5-3-2-4-6-17/h2-8,10-11,15-16,21H,9,12-14H2,1H3,(H,25,27)(H,28,29)