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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-[2-(1-pyrrolidinyl)ethyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-(2-pyrrolidinoethyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C24H28N6O3 MolecularWeight: 448.51752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CCN(C1)CCN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C24H28N6O3/c25-22(26)16-3-5-17(6-4-16)23-28-19-15-18(24(33)27-10-9-21(31)32)7-8-20(19)30(23)14-13-29-11-1-2-12-29/h3-8,15H,1-2,9-14H2,(H3,25,26)(H,27,33)(H,31,32)