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

Systemtic Name: 3-[[2-(1-carbamimidoylpiperidin-4-yl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(1-carbamimidoyl-4-piperidyl)-1-methyl-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(1-carbamimidoyl-4-piperidinyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(1-carbamimidoylpiperidin-4-yl)-1-methylbenzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(1-amidino-4-piperidyl)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3CCN(CC3)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3CCN(CC3)C(=N)N

InChI

InChI=1S/C18H24N6O3/c1-23-14-3-2-12(17(27)21-7-4-15(25)26)10-13(14)22-16(23)11-5-8-24(9-6-11)18(19)20/h2-3,10-11H,4-9H2,1H3,(H3,19,20)(H,21,27)(H,25,26)