4-[[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]carbonyl-(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]carbonyl-(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[4-(5-carbamimidoyl-2-pyridyl)piperazine-1-carbonyl]-(2-morpholino-2-oxo-ethyl)amino]cyclohexanecarboxylic acid CAS Name: 4-[[[4-(5-carbamimidoyl-2-pyridinyl)-1-piperazinyl]-oxomethyl]-[2-(4-morpholinyl)-2-oxoethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[4-(5-carbamimidoylpyridin-2-yl)piperazine-1-carbonyl]-(2-morpholin-4-yl-2-oxoethyl)amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[4-(5-amidino-2-pyridyl)piperazine-1-carbonyl]-(2-keto-2-morpholino-ethyl)amino]cyclohexanecarboxylic acid Formula: C24H35N7O5 MolecularWeight: 501.5786

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)N(CC(=O)N2CCOCC2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(=N)N

Isomeric SMILES

C1CC(CCC1C(=O)O)N(CC(=O)N2CCOCC2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(=N)N

InChI

InChI=1S/C24H35N7O5/c25-22(26)18-3-6-20(27-15-18)28-7-9-30(10-8-28)24(35)31(16-21(32)29-11-13-36-14-12-29)19-4-1-17(2-5-19)23(33)34/h3,6,15,17,19H,1-2,4-5,7-14,16H2,(H3,25,26)(H,33,34)