3-[[2-[2-(N'-butylcarbamimidoyl)phenyl]-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-[2-(N'-butylcarbamimidoyl)phenyl]-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-[2-(N'-butylcarbamimidoyl)phenyl]-1-methyl-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-[2-[amino(butylimino)methyl]phenyl]-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-[2-(N'-butylcarbamimidoyl)phenyl]-1-methylbenzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-[2-(N'-butylamidino)phenyl]-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(C1=CC=CC=C1C2=NC3=C(N2C)C=CC(=C3)C(=O)NCCC(=O)O)N

Isomeric SMILES

CCCCN=C(C1=CC=CC=C1C2=NC3=C(N2C)C=CC(=C3)C(=O)NCCC(=O)O)N

InChI

InChI=1S/C23H27N5O3/c1-3-4-12-25-21(24)16-7-5-6-8-17(16)22-27-18-14-15(9-10-19(18)28(22)2)23(31)26-13-11-20(29)30/h5-10,14H,3-4,11-13H2,1-2H3,(H2,24,25)(H,26,31)(H,29,30)