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

Systemtic Name: 4-[1,3-bis(2,2-dimethylpropanoyloxy)-2-phosphono-propan-2-yl]-1-phenylmethoxycarbonyl-piperidine-2-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-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]-1-phenylmethoxycarbonyl-2-piperidinecarboxylic acid IUPAC Name: 4-[1,3-bis(2,2-dimethylpropanoyloxy)-2-phosphonopropan-2-yl]-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid Traditional Name: 1-carbobenzoxy-4-[1-phosphono-2-pivaloyloxy-1-(pivaloyloxymethyl)ethyl]pipecolinic acid Formula: C27H40NO11P MolecularWeight: 585.580361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC(COC(=O)C(C)(C)C)(C1CCN(C(C1)C(=O)O)C(=O)OCC2=CC=CC=C2)P(=O)(O)O

Isomeric SMILES

CC(C)(C)C(=O)OCC(COC(=O)C(C)(C)C)(C1CCN(C(C1)C(=O)O)C(=O)OCC2=CC=CC=C2)P(=O)(O)O

InChI

InChI=1S/C27H40NO11P/c1-25(2,3)22(31)38-16-27(40(34,35)36,17-39-23(32)26(4,5)6)19-12-13-28(20(14-19)21(29)30)24(33)37-15-18-10-8-7-9-11-18/h7-11,19-20H,12-17H2,1-6H3,(H,29,30)(H2,34,35,36)