4-[(3-carbamimidoylphenyl)amino]-3-[[4-(dimethylcarbamoyl)phenyl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-carbamimidoylphenyl)amino]-3-[[4-(dimethylcarbamoyl)phenyl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-carbamimidoylanilino)-3-[[4-(dimethylcarbamoyl)benzoyl]amino]-4-oxo-butanoic acid CAS Name: 4-(3-carbamimidoylanilino)-3-[[[4-[dimethylamino(oxo)methyl]phenyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-(3-carbamimidoylanilino)-3-[[4-(dimethylcarbamoyl)benzoyl]amino]-4-oxobutanoic acid Traditional Name: 4-(3-amidinoanilino)-3-[[4-(dimethylcarbamoyl)benzoyl]amino]-4-keto-butyric acid Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)C(=O)NC(CC(=O)O)C(=O)NC2=CC=CC(=C2)C(=N)N

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)C(=O)NC(CC(=O)O)C(=O)NC2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C21H23N5O5/c1-26(2)21(31)13-8-6-12(7-9-13)19(29)25-16(11-17(27)28)20(30)24-15-5-3-4-14(10-15)18(22)23/h3-10,16H,11H2,1-2H3,(H3,22,23)(H,24,30)(H,25,29)(H,27,28)