3-[[4-[(4-carbamimidoylphenyl)-phenyl-amino]-4-oxidanylidene-butanoyl]amino]-3-(1H-imidazol-2-yl)propanoic acid

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)-phenyl-amino]-4-oxidanylidene-butanoyl]amino]-3-(1H-imidazol-2-yl)propanoic acid Openeye Name: 3-[[4-(N-(4-carbamimidoylphenyl)anilino)-4-oxo-butanoyl]amino]-3-(1H-imidazol-2-yl)propanoic acid CAS Name: 3-[[4-(N-(4-carbamimidoylphenyl)anilino)-1,4-dioxobutyl]amino]-3-(1H-imidazol-2-yl)propanoic acid IUPAC Name: 3-[[4-(N-(4-carbamimidoylphenyl)anilino)-4-oxobutanoyl]amino]-3-(1H-imidazol-2-yl)propanoic acid Traditional Name: 3-[[4-(N-(4-amidinophenyl)anilino)-4-keto-butanoyl]amino]-3-(1H-imidazol-2-yl)propionic acid Formula: C23H24N6O4 MolecularWeight: 448.47446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=C(C=C2)C(=N)N)C(=O)CCC(=O)NC(CC(=O)O)C3=NC=CN3

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=C(C=C2)C(=N)N)C(=O)CCC(=O)NC(CC(=O)O)C3=NC=CN3

InChI

InChI=1S/C23H24N6O4/c24-22(25)15-6-8-17(9-7-15)29(16-4-2-1-3-5-16)20(31)11-10-19(30)28-18(14-21(32)33)23-26-12-13-27-23/h1-9,12-13,18H,10-11,14H2,(H3,24,25)(H,26,27)(H,28,30)(H,32,33)