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

Systemtic Name: 3-[3-[4-(4-carbamimidoylphenyl)-2-methylsulfanyl-phenyl]-2-oxidanylidene-imidazolidin-1-yl]propanoic acid Openeye Name: 3-[3-[4-(4-carbamimidoylphenyl)-2-methylsulfanyl-phenyl]-2-oxo-imidazolidin-1-yl]propanoic acid CAS Name: 3-[3-[4-(4-carbamimidoylphenyl)-2-(methylthio)phenyl]-2-oxo-1-imidazolidinyl]propanoic acid IUPAC Name: 3-[3-[4-(4-carbamimidoylphenyl)-2-methylsulfanylphenyl]-2-oxoimidazolidin-1-yl]propanoic acid Traditional Name: 3-[3-[4-(4-amidinophenyl)-2-(methylthio)phenyl]-2-keto-imidazolidin-1-yl]propionic acid Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)N)N3CCN(C3=O)CCC(=O)O

Isomeric SMILES

CSC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)N)N3CCN(C3=O)CCC(=O)O

InChI

InChI=1S/C20H22N4O3S/c1-28-17-12-15(13-2-4-14(5-3-13)19(21)22)6-7-16(17)24-11-10-23(20(24)27)9-8-18(25)26/h2-7,12H,8-11H2,1H3,(H3,21,22)(H,25,26)