3-[2-[1-[(4-carbamimidoylphenyl)amino]-2-oxidanyl-2-oxidanylidene-ethyl]-4,5-dimethoxy-phenyl]propanoic acid

Systemtic Name: 3-[2-[1-[(4-carbamimidoylphenyl)amino]-2-oxidanyl-2-oxidanylidene-ethyl]-4,5-dimethoxy-phenyl]propanoic acid Openeye Name: 3-[2-[1-(4-carbamimidoylanilino)-2-hydroxy-2-oxo-ethyl]-4,5-dimethoxy-phenyl]propanoic acid CAS Name: 3-[2-[1-(4-carbamimidoylanilino)-2-hydroxy-2-oxoethyl]-4,5-dimethoxyphenyl]propanoic acid IUPAC Name: 3-[2-[1-(4-carbamimidoylanilino)-2-hydroxy-2-oxoethyl]-4,5-dimethoxyphenyl]propanoic acid Traditional Name: 3-[2-[1-(4-amidinoanilino)-2-hydroxy-2-keto-ethyl]-4,5-dimethoxy-phenyl]propionic acid Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCC(=O)O)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCC(=O)O)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OC

InChI

InChI=1S/C20H23N3O6/c1-28-15-9-12(5-8-17(24)25)14(10-16(15)29-2)18(20(26)27)23-13-6-3-11(4-7-13)19(21)22/h3-4,6-7,9-10,18,23H,5,8H2,1-2H3,(H3,21,22)(H,24,25)(H,26,27)