4-[2,5-dimethyl-3,5-bis(oxidanyl)hexan-2-yl]oxycarbonylpiperazine-1-carboxylic acid

Systemtic Name: 4-[2,5-dimethyl-3,5-bis(oxidanyl)hexan-2-yl]oxycarbonylpiperazine-1-carboxylic acid Openeye Name: 4-(2,4-dihydroxy-1,1,4-trimethyl-pentoxy)carbonylpiperazine-1-carboxylic acid CAS Name: 4-[(3,5-dihydroxy-2,5-dimethylhexan-2-yl)oxy-oxomethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-(3,5-dihydroxy-2,5-dimethylhexan-2-yl)oxycarbonylpiperazine-1-carboxylic acid Traditional Name: 4-(2,4-dihydroxy-1,1,4-trimethyl-pentoxy)carbonylpiperazine-1-carboxylic acid Formula: C14H26N2O6 MolecularWeight: 318.36604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(C)(C)OC(=O)N1CCN(CC1)C(=O)O)O)O

Isomeric SMILES

CC(C)(CC(C(C)(C)OC(=O)N1CCN(CC1)C(=O)O)O)O

InChI

InChI=1S/C14H26N2O6/c1-13(2,21)9-10(17)14(3,4)22-12(20)16-7-5-15(6-8-16)11(18)19/h10,17,21H,5-9H2,1-4H3,(H,18,19)