3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzothiazol-5-yl]carbonyl-phenyl-amino]propanoic acid

Systemtic Name: 3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzothiazol-5-yl]carbonyl-phenyl-amino]propanoic acid Openeye Name: 3-(N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzothiazole-5-carbonyl]anilino)propanoic acid CAS Name: 3-(N-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzothiazol-5-yl]-oxomethyl]anilino)propanoic acid IUPAC Name: 3-(N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzothiazole-5-carbonyl]anilino)propanoic acid Traditional Name: 3-(N-[2-[2-(4-amidinophenyl)ethyl]-1,3-benzothiazole-5-carbonyl]anilino)propionic acid Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC(=O)O)C(=O)C2=CC3=C(C=C2)SC(=N3)CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)N(CCC(=O)O)C(=O)C2=CC3=C(C=C2)SC(=N3)CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H24N4O3S/c27-25(28)18-9-6-17(7-10-18)8-13-23-29-21-16-19(11-12-22(21)34-23)26(33)30(15-14-24(31)32)20-4-2-1-3-5-20/h1-7,9-12,16H,8,13-15H2,(H3,27,28)(H,31,32)