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

Systemtic Name: 3-[3-[2-acetamido-4-(4-carbamimidoylphenyl)phenyl]-2-oxidanylidene-imidazolidin-1-yl]propanoic acid Openeye Name: 3-[3-[2-acetamido-4-(4-carbamimidoylphenyl)phenyl]-2-oxo-imidazolidin-1-yl]propanoic acid CAS Name: 3-[3-[2-acetamido-4-(4-carbamimidoylphenyl)phenyl]-2-oxo-1-imidazolidinyl]propanoic acid IUPAC Name: 3-[3-[2-acetamido-4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]propanoic acid Traditional Name: 3-[3-[2-acetamido-4-(4-amidinophenyl)phenyl]-2-keto-imidazolidin-1-yl]propionic acid Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)N)N3CCN(C3=O)CCC(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)N)N3CCN(C3=O)CCC(=O)O

InChI

InChI=1S/C21H23N5O4/c1-13(27)24-17-12-16(14-2-4-15(5-3-14)20(22)23)6-7-18(17)26-11-10-25(21(26)30)9-8-19(28)29/h2-7,12H,8-11H2,1H3,(H3,22,23)(H,24,27)(H,28,29)