2-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]ethyl-(phenylcarbonyl)amino]ethanoic acid

Systemtic Name: 2-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]ethyl-(phenylcarbonyl)amino]ethanoic acid Openeye Name: 2-[benzoyl-[2-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]ethyl]amino]acetic acid CAS Name: 2-[benzoyl-[2-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]ethyl]amino]acetic acid IUPAC Name: 2-[benzoyl-[2-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]ethyl]amino]acetic acid Traditional Name: 2-[2-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]ethyl-benzoyl-amino]acetic acid Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1CCN(CC(=O)O)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(C(=O)N1CCN(CC(=O)O)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H23N5O4/c22-19(23)15-6-8-17(9-7-15)26-13-12-24(21(26)30)10-11-25(14-18(27)28)20(29)16-4-2-1-3-5-16/h1-9H,10-14H2,(H3,22,23)(H,27,28)