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

Systemtic Name: 3-[3-[4-(4-carbamimidoylphenyl)-2,3-dimethyl-phenyl]-2-oxidanylidene-imidazolidin-1-yl]propanoic acid Openeye Name: 3-[3-[4-(4-carbamimidoylphenyl)-2,3-dimethyl-phenyl]-2-oxo-imidazolidin-1-yl]propanoic acid CAS Name: 3-[3-[4-(4-carbamimidoylphenyl)-2,3-dimethylphenyl]-2-oxo-1-imidazolidinyl]propanoic acid IUPAC Name: 3-[3-[4-(4-carbamimidoylphenyl)-2,3-dimethylphenyl]-2-oxoimidazolidin-1-yl]propanoic acid Traditional Name: 3-[3-[4-(4-amidinophenyl)-2,3-dimethyl-phenyl]-2-keto-imidazolidin-1-yl]propionic acid Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)N2CCN(C2=O)CCC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=C(C=CC(=C1C)N2CCN(C2=O)CCC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H24N4O3/c1-13-14(2)18(25-12-11-24(21(25)28)10-9-19(26)27)8-7-17(13)15-3-5-16(6-4-15)20(22)23/h3-8H,9-12H2,1-2H3,(H3,22,23)(H,26,27)