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

Systemtic Name: 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-phenyl-amino]propanoic acid Openeye Name: 3-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]sulfonylanilino)propanoic acid CAS Name: 3-[N-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]sulfonyl]anilino]propanoic acid IUPAC Name: 3-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]sulfonylanilino)propanoic acid Traditional Name: 3-(N-[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]sulfonylanilino)propionic acid Formula: C25H26N6O4S MolecularWeight: 506.57674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N(CCC(=O)O)C3=CC=CC=C3)N=C1CNC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N(CCC(=O)O)C3=CC=CC=C3)N=C1CNC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H26N6O4S/c1-30-22-12-11-20(36(34,35)31(14-13-24(32)33)19-5-3-2-4-6-19)15-21(22)29-23(30)16-28-18-9-7-17(8-10-18)25(26)27/h2-12,15,28H,13-14,16H2,1H3,(H3,26,27)(H,32,33)