4-(3-carbamimidoylphenoxy)-3-[[4-(N,N-dimethylcarbamimidoyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-(3-carbamimidoylphenoxy)-3-[[4-(N,N-dimethylcarbamimidoyl)phenyl]carbonylamino]butanoic acid Openeye Name: 4-(3-carbamimidoylphenoxy)-3-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]butanoic acid CAS Name: 4-(3-carbamimidoylphenoxy)-3-[[[4-[dimethylamino(imino)methyl]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-(3-carbamimidoylphenoxy)-3-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]butanoic acid Traditional Name: 4-(3-amidinophenoxy)-3-[[4-(N,N-dimethylamidino)benzoyl]amino]butyric acid Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=N)C1=CC=C(C=C1)C(=O)NC(CC(=O)O)COC2=CC=CC(=C2)C(=N)N

Isomeric SMILES

CN(C)C(=N)C1=CC=C(C=C1)C(=O)NC(CC(=O)O)COC2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C21H25N5O4/c1-26(2)20(24)13-6-8-14(9-7-13)21(29)25-16(11-18(27)28)12-30-17-5-3-4-15(10-17)19(22)23/h3-10,16,24H,11-12H2,1-2H3,(H3,22,23)(H,25,29)(H,27,28)