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

Systemtic Name: 3-[[1-[(4-carbamimidoylphenyl)methyl]benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-[(4-carbamimidoylphenyl)methyl]benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-[(4-carbamimidoylphenyl)methyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-[(4-carbamimidoylphenyl)methyl]benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-(4-amidinobenzyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C2C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C2C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

InChI

InChI=1S/C19H19N5O3/c20-18(21)13-3-1-12(2-4-13)10-24-11-23-15-9-14(5-6-16(15)24)19(27)22-8-7-17(25)26/h1-6,9,11H,7-8,10H2,(H3,20,21)(H,22,27)(H,25,26)