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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-[2-(1-piperidyl)ethyl]benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-[2-(1-piperidinyl)ethyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-(2-piperidin-1-ylethyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-(2-piperidinoethyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C25H30N6O3 MolecularWeight: 462.5441

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CCN(CC1)CCN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H30N6O3/c26-23(27)17-4-6-18(7-5-17)24-29-20-16-19(25(34)28-11-10-22(32)33)8-9-21(20)31(24)15-14-30-12-2-1-3-13-30/h4-9,16H,1-3,10-15H2,(H3,26,27)(H,28,34)(H,32,33)