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

Systemtic Name: 3-[[5-carbamimidoyl-2-[[(3,5-dimethoxy-4-methyl-phenyl)carbonylamino]methyl]phenyl]amino]propanoic acid Openeye Name: 3-[5-carbamimidoyl-2-[[(3,5-dimethoxy-4-methyl-benzoyl)amino]methyl]anilino]propanoic acid CAS Name: 3-[5-carbamimidoyl-2-[[[(3,5-dimethoxy-4-methylphenyl)-oxomethyl]amino]methyl]anilino]propanoic acid IUPAC Name: 3-[5-carbamimidoyl-2-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]anilino]propanoic acid Traditional Name: 3-[5-amidino-2-[[(3,5-dimethoxy-4-methyl-benzoyl)amino]methyl]anilino]propionic acid Formula: C21H26N4O5 MolecularWeight: 414.45494

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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)NCCC(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5/c1-12-17(29-2)9-15(10-18(12)30-3)21(28)25-11-14-5-4-13(20(22)23)8-16(14)24-7-6-19(26)27/h4-5,8-10,24H,6-7,11H2,1-3H3,(H3,22,23)(H,25,28)(H,26,27)