(1S,2R)-2-[4-[(1S,2R)-2-carboxylatocyclohexyl]carbonylpiperazin-1-yl]carbonylcyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[4-[(1S,2R)-2-carboxylatocyclohexyl]carbonylpiperazin-1-yl]carbonylcyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[4-[(1S,2R)-2-carboxylatocyclohexanecarbonyl]piperazine-1-carbonyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[4-[[(1S,2R)-2-carboxylatocyclohexyl]-oxomethyl]-1-piperazinyl]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[4-[(1S,2R)-2-carboxylatocyclohexanecarbonyl]piperazine-1-carbonyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[4-[(1S,2R)-2-carboxylatocyclohexanecarbonyl]piperazine-1-carbonyl]cyclohexanecarboxylate Formula: C20H28N2O6-2 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CCN(CC2)C(=O)C3CCCCC3C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)N2CCN(CC2)C(=O)[C@H]3CCCC[C@H]3C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C20H30N2O6/c23-17(13-5-1-3-7-15(13)19(25)26)21-9-11-22(12-10-21)18(24)14-6-2-4-8-16(14)20(27)28/h13-16H,1-12H2,(H,25,26)(H,27,28)/p-2/t13-,14+,15+,16-