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

Systemtic Name: 3-[[2-[(4-carbamimidoylphenyl)methylsulfanyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoic acid Openeye Name: 3-(N-[2-[(4-carbamimidoylphenyl)methylsulfanyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propanoic acid CAS Name: 3-(N-[[2-[(4-carbamimidoylphenyl)methylthio]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)propanoic acid IUPAC Name: 3-(N-[2-[(4-carbamimidoylphenyl)methylsulfanyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoic acid Traditional Name: 3-(N-[2-[(4-amidinobenzyl)thio]-1-methyl-benzimidazole-5-carbonyl]anilino)propionic acid Formula: C26H25N5O3S MolecularWeight: 487.5734

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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=C1SCC4=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=C1SCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H25N5O3S/c1-30-22-12-11-19(25(34)31(14-13-23(32)33)20-5-3-2-4-6-20)15-21(22)29-26(30)35-16-17-7-9-18(10-8-17)24(27)28/h2-12,15H,13-14,16H2,1H3,(H3,27,28)(H,32,33)