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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-(phenylmethyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-benzyl-2-(4-carbamimidoylphenyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(phenylmethyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-benzyl-2-(4-carbamimidoylphenyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-benzyl-benzimidazole-5-carbonyl]amino]propionic acid Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H23N5O3/c26-23(27)17-6-8-18(9-7-17)24-29-20-14-19(25(33)28-13-12-22(31)32)10-11-21(20)30(24)15-16-4-2-1-3-5-16/h1-11,14H,12-13,15H2,(H3,26,27)(H,28,33)(H,31,32)