3-[[2-(4-carbamimidoylpiperazin-1-yl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(4-carbamimidoylpiperazin-1-yl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylpiperazin-1-yl)-1-methyl-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoyl-1-piperazinyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylpiperazin-1-yl)-1-methylbenzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinopiperazino)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid Formula: C17H23N7O3 MolecularWeight: 373.40962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1N3CCN(CC3)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1N3CCN(CC3)C(=N)N

InChI

InChI=1S/C17H23N7O3/c1-22-13-3-2-11(15(27)20-5-4-14(25)26)10-12(13)21-17(22)24-8-6-23(7-9-24)16(18)19/h2-3,10H,4-9H2,1H3,(H3,18,19)(H,20,27)(H,25,26)