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

Systemtic Name: 3-[[1-(3-azanyl-3-oxidanylidene-propyl)-2-(4-carbamimidoylphenyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-(3-amino-3-oxo-propyl)-2-(4-carbamimidoylphenyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-(3-amino-3-oxopropyl)-2-(4-carbamimidoylphenyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-(3-amino-3-oxopropyl)-2-(4-carbamimidoylphenyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-(3-amino-3-keto-propyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2CCC(=O)N)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2CCC(=O)N)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

InChI

InChI=1S/C21H22N6O4/c22-17(28)8-10-27-16-6-5-14(21(31)25-9-7-18(29)30)11-15(16)26-20(27)13-3-1-12(2-4-13)19(23)24/h1-6,11H,7-10H2,(H2,22,28)(H3,23,24)(H,25,31)(H,29,30)