4-[1,3-bis(2,2-dimethylpropanoyloxy)-2-phosphono-propan-2-yl]piperidine-2-carboxylic acid

Systemtic Name: 4-[1,3-bis(2,2-dimethylpropanoyloxy)-2-phosphono-propan-2-yl]piperidine-2-carboxylic acid Openeye Name: 4-[2-(2,2-dimethylpropanoyloxy)-1-(2,2-dimethylpropanoyloxymethyl)-1-phosphono-ethyl]piperidine-2-carboxylic acid CAS Name: 4-[1,3-bis(2,2-dimethyl-1-oxopropoxy)-2-phosphonopropan-2-yl]-2-piperidinecarboxylic acid IUPAC Name: 4-[1,3-bis(2,2-dimethylpropanoyloxy)-2-phosphonopropan-2-yl]piperidine-2-carboxylic acid Traditional Name: 4-[1-phosphono-2-pivaloyloxy-1-(pivaloyloxymethyl)ethyl]pipecolinic acid Formula: C19H34NO9P MolecularWeight: 451.448321

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC(COC(=O)C(C)(C)C)(C1CCNC(C1)C(=O)O)P(=O)(O)O

Isomeric SMILES

CC(C)(C)C(=O)OCC(COC(=O)C(C)(C)C)(C1CCNC(C1)C(=O)O)P(=O)(O)O

InChI

InChI=1S/C19H34NO9P/c1-17(2,3)15(23)28-10-19(30(25,26)27,11-29-16(24)18(4,5)6)12-7-8-20-13(9-12)14(21)22/h12-13,20H,7-11H2,1-6H3,(H,21,22)(H2,25,26,27)