1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(E)-4-(phosphonomethyl)hex-3-en-3-yl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(E)-4-(phosphonomethyl)hex-3-en-3-yl]piperidine-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[(E)-1-ethyl-2-(phosphonomethyl)but-1-enyl]piperidine-2-carboxylic acid CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-[(E)-4-(phosphonomethyl)hex-3-en-3-yl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(E)-4-(phosphonomethyl)hex-3-en-3-yl]piperidine-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-[(E)-1-ethyl-2-(phosphonomethyl)but-1-enyl]pipecolinic acid Formula: C18H32NO7P MolecularWeight: 405.422941

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(CC)C1CCN(C(C1)C(=O)O)C(=O)OC(C)(C)C)CP(=O)(O)O

Isomeric SMILES

CC/C(=C(/CC)\C1CCN(C(C1)C(=O)O)C(=O)OC(C)(C)C)/CP(=O)(O)O

InChI

InChI=1S/C18H32NO7P/c1-6-12(11-27(23,24)25)14(7-2)13-8-9-19(15(10-13)16(20)21)17(22)26-18(3,4)5/h13,15H,6-11H2,1-5H3,(H,20,21)(H2,23,24,25)/b14-12+