3-[[2-[[(4-carbamimidoylphenyl)-methyl-amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoic acid

Systemtic Name: 3-[[2-[[(4-carbamimidoylphenyl)-methyl-amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoic acid Openeye Name: 3-(N-[2-[(4-carbamimidoyl-N-methyl-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propanoic acid CAS Name: 3-(N-[[2-[(4-carbamimidoyl-N-methylanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)propanoic acid IUPAC Name: 3-(N-[2-[(4-carbamimidoyl-N-methylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoic acid Traditional Name: 3-(N-[2-[(4-amidino-N-methyl-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propionic acid Formula: C27H28N6O3 MolecularWeight: 484.54962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=C3)N=C1CN(C)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=C3)N=C1CN(C)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H28N6O3/c1-31(20-11-8-18(9-12-20)26(28)29)17-24-30-22-16-19(10-13-23(22)32(24)2)27(36)33(15-14-25(34)35)21-6-4-3-5-7-21/h3-13,16H,14-15,17H2,1-2H3,(H3,28,29)(H,34,35)