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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-prop-2-ynyl-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-prop-2-ynyl-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-prop-2-ynyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-prop-2-ynylbenzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-propargyl-benzimidazole-5-carbonyl]amino]propionic acid Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H19N5O3/c1-2-11-26-17-8-7-15(21(29)24-10-9-18(27)28)12-16(17)25-20(26)14-5-3-13(4-6-14)19(22)23/h1,3-8,12H,9-11H2,(H3,22,23)(H,24,29)(H,27,28)