2-[2-[[4-(4-carbamimidoylphenyl)phenyl]carbonyl-methyl-amino]propyl]propanedioic acid

Systemtic Name: 2-[2-[[4-(4-carbamimidoylphenyl)phenyl]carbonyl-methyl-amino]propyl]propanedioic acid Openeye Name: 2-[2-[[4-(4-carbamimidoylphenyl)benzoyl]-methyl-amino]propyl]propanedioic acid CAS Name: 2-[2-[[[4-(4-carbamimidoylphenyl)phenyl]-oxomethyl]-methylamino]propyl]propanedioic acid IUPAC Name: 2-[2-[[4-(4-carbamimidoylphenyl)benzoyl]-methylamino]propyl]propanedioic acid Traditional Name: 2-[2-[[4-(4-amidinophenyl)benzoyl]-methyl-amino]propyl]malonic acid Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)O)C(=O)O)N(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(CC(C(=O)O)C(=O)O)N(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H23N3O5/c1-12(11-17(20(26)27)21(28)29)24(2)19(25)16-9-5-14(6-10-16)13-3-7-15(8-4-13)18(22)23/h3-10,12,17H,11H2,1-2H3,(H3,22,23)(H,26,27)(H,28,29)