3-[[2-(4-carbamimidoylphenyl)-1-decyl-benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-decyl-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-decyl-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-decyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-decylbenzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-decyl-benzimidazole-5-carbonyl]amino]propionic acid Formula: C28H37N5O3 MolecularWeight: 491.62508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCCCCCCCCCN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C28H37N5O3/c1-2-3-4-5-6-7-8-9-18-33-24-15-14-22(28(36)31-17-16-25(34)35)19-23(24)32-27(33)21-12-10-20(11-13-21)26(29)30/h10-15,19H,2-9,16-18H2,1H3,(H3,29,30)(H,31,36)(H,34,35)