1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]-4-(3-phosphonopentan-3-yl)piperidine-2-carboxylic acid

Systemtic Name: 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]-4-(3-phosphonopentan-3-yl)piperidine-2-carboxylic acid Openeye Name: 1-[2-(tert-butoxycarbonylamino)acetyl]-4-(1-ethyl-1-phosphono-propyl)piperidine-2-carboxylic acid CAS Name: 1-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]-4-(3-phosphonopentan-3-yl)-2-piperidinecarboxylic acid IUPAC Name: 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-(3-phosphonopentan-3-yl)piperidine-2-carboxylic acid Traditional Name: 1-[2-(tert-butoxycarbonylamino)acetyl]-4-(1-ethyl-1-phosphono-propyl)pipecolinic acid Formula: C18H33N2O8P MolecularWeight: 436.436981

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1CCN(C(C1)C(=O)O)C(=O)CNC(=O)OC(C)(C)C)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1CCN(C(C1)C(=O)O)C(=O)CNC(=O)OC(C)(C)C)P(=O)(O)O

InChI

InChI=1S/C18H33N2O8P/c1-6-18(7-2,29(25,26)27)12-8-9-20(13(10-12)15(22)23)14(21)11-19-16(24)28-17(3,4)5/h12-13H,6-11H2,1-5H3,(H,19,24)(H,22,23)(H2,25,26,27)