4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]-methyl-amino]cyclohexanecarboxylic acid CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperazinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]-methylamino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[4-(4-amidinophenyl)piperazine-1-carbonyl]-methyl-amino]cyclohexanecarboxylic acid Formula: C20H29N5O3 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)C(=O)O)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN(C1CCC(CC1)C(=O)O)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H29N5O3/c1-23(16-6-4-15(5-7-16)19(26)27)20(28)25-12-10-24(11-13-25)17-8-2-14(3-9-17)18(21)22/h2-3,8-9,15-16H,4-7,10-13H2,1H3,(H3,21,22)(H,26,27)