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

Systemtic Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]-3-methylsulfinyl-phenyl]propanoic acid Openeye Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]-3-methylsulfinyl-phenyl]propanoic acid CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]-3-methylsulfinylphenyl]propanoic acid IUPAC Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]-3-methylsulfinylphenyl]propanoic acid Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]-3-methylsulfinyl-phenyl]propionic acid Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=C(C=CC(=C1)CCC(=O)O)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CS(=O)C1=C(C=CC(=C1)CCC(=O)O)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H22N4O4S/c1-29(28)17-12-13(3-9-18(25)26)2-8-16(17)24-11-10-23(20(24)27)15-6-4-14(5-7-15)19(21)22/h2,4-8,12H,3,9-11H2,1H3,(H3,21,22)(H,25,26)