2-[[5-carbamimidoyl-2-[[(3,5-dimethoxy-4-methyl-phenyl)carbonylamino]methyl]phenyl]amino]ethanoic acid

Systemtic Name: 2-[[5-carbamimidoyl-2-[[(3,5-dimethoxy-4-methyl-phenyl)carbonylamino]methyl]phenyl]amino]ethanoic acid Openeye Name: 2-[5-carbamimidoyl-2-[[(3,5-dimethoxy-4-methyl-benzoyl)amino]methyl]anilino]acetic acid CAS Name: 2-[5-carbamimidoyl-2-[[[(3,5-dimethoxy-4-methylphenyl)-oxomethyl]amino]methyl]anilino]acetic acid IUPAC Name: 2-[5-carbamimidoyl-2-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]anilino]acetic acid Traditional Name: 2-[5-amidino-2-[[(3,5-dimethoxy-4-methyl-benzoyl)amino]methyl]anilino]acetic acid Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCC(=O)O)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCC(=O)O)OC

InChI

InChI=1S/C20H24N4O5/c1-11-16(28-2)7-14(8-17(11)29-3)20(27)24-9-13-5-4-12(19(21)22)6-15(13)23-10-18(25)26/h4-8,23H,9-10H2,1-3H3,(H3,21,22)(H,24,27)(H,25,26)