3-[1-[4-(4-carbamimidoylphenyl)-2-methylsulfanyl-phenyl]imidazol-4-yl]propanoic acid

Systemtic Name: 3-[1-[4-(4-carbamimidoylphenyl)-2-methylsulfanyl-phenyl]imidazol-4-yl]propanoic acid Openeye Name: 3-[1-[4-(4-carbamimidoylphenyl)-2-methylsulfanyl-phenyl]imidazol-4-yl]propanoic acid CAS Name: 3-[1-[4-(4-carbamimidoylphenyl)-2-(methylthio)phenyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-[1-[4-(4-carbamimidoylphenyl)-2-methylsulfanylphenyl]imidazol-4-yl]propanoic acid Traditional Name: 3-[1-[4-(4-amidinophenyl)-2-(methylthio)phenyl]imidazol-4-yl]propionic acid Formula: C20H20N4O2S MolecularWeight: 380.4634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)N)N3C=C(N=C3)CCC(=O)O

Isomeric SMILES

CSC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)N)N3C=C(N=C3)CCC(=O)O

InChI

InChI=1S/C20H20N4O2S/c1-27-18-10-15(13-2-4-14(5-3-13)20(21)22)6-8-17(18)24-11-16(23-12-24)7-9-19(25)26/h2-6,8,10-12H,7,9H2,1H3,(H3,21,22)(H,25,26)