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

Systemtic Name: methyl 3-[[2-(4-carbamimidoylpiperazin-1-yl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylpiperazin-1-yl)-1-methyl-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoyl-1-piperazinyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylpiperazin-1-yl)-1-methylbenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinopiperazino)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C18H25N7O3 MolecularWeight: 387.4362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N7O3/c1-23-14-4-3-12(16(27)21-6-5-15(26)28-2)11-13(14)22-18(23)25-9-7-24(8-10-25)17(19)20/h3-4,11H,5-10H2,1-2H3,(H3,19,20)(H,21,27)