1-(1,1-Dimethylethyl) 4-(phenylmethyl) (2S)-1,2,4-piperazinetricarboxylate

CAS Registry Number®

138775-03-8
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CAS Name

1-(1,1-Dimethylethyl) 4-(phenylmethyl) (2S)-1,2,4-piperazinetricarboxylate

Molecular Formula

C18H24N2O6

Molecular Mass

364.39

Cite this Page

1-(1,1-Dimethylethyl) 4-(phenylmethyl) (2S)-1,2,4-piperazinetricarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=138775-03-8 (retrieved 2024-04-27) (CAS RN: 138775-03-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    50-53 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H24N2O6/c1-18(2,3)26-17(24)20-10-9-19(11-14(20)15(21)22)16(23)25-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,22)/t14-/m0/s1

InChIKey

InChIKey=SREPAMKILVVDSP-AWEZNQCLSA-N

SMILES

C(OC(C)(C)C)(=O)N1[C@H](C(O)=O)CN(C(OCC2=CC=CC=C2)=O)CC1

Canonical SMILES

O=C(OCC=1C=CC=CC1)N2CCN(C(=O)OC(C)(C)C)C(C(=O)O)C2

Other Names for this Substance

  • 1,2,4-Piperazinetricarboxylic acid, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester, (2S)-
  • 1,2,4-Piperazinetricarboxylic acid, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester, (S)-
  • 1-(1,1-Dimethylethyl) 4-(phenylmethyl) (2S)-1,2,4-piperazinetricarboxylate
  • (S)-4-(Benzyloxycarbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid
  • (2S)-1-(Benzyloxycarbonyl)-2-carboxy-4-(benzyloxycarbonyl)piperazine

Deleted or Replaced CAS Registry Numbers

552881-20-6

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