4-(3-carbamimidoylphenoxy)-2-[[4-(dimethylcarbamoyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-(3-carbamimidoylphenoxy)-2-[[4-(dimethylcarbamoyl)phenyl]carbonylamino]butanoic acid Openeye Name: 4-(3-carbamimidoylphenoxy)-2-[[4-(dimethylcarbamoyl)benzoyl]amino]butanoic acid CAS Name: 4-(3-carbamimidoylphenoxy)-2-[[[4-[dimethylamino(oxo)methyl]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-(3-carbamimidoylphenoxy)-2-[[4-(dimethylcarbamoyl)benzoyl]amino]butanoic acid Traditional Name: 4-(3-amidinophenoxy)-2-[[4-(dimethylcarbamoyl)benzoyl]amino]butyric acid Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)C(=O)NC(CCOC2=CC=CC(=C2)C(=N)N)C(=O)O

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)C(=O)NC(CCOC2=CC=CC(=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C21H24N4O5/c1-25(2)20(27)14-8-6-13(7-9-14)19(26)24-17(21(28)29)10-11-30-16-5-3-4-15(12-16)18(22)23/h3-9,12,17H,10-11H2,1-2H3,(H3,22,23)(H,24,26)(H,28,29)