(4-Nitrophenyl)methyl (2S,4S)-2-[(dimethylamino)carbonyl]-4-mercapto-1-pyrrolidinecarboxylate

CAS Registry Number®

96034-64-9
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CAS Name

(4-Nitrophenyl)methyl (2S,4S)-2-[(dimethylamino)carbonyl]-4-mercapto-1-pyrrolidinecarboxylate

Molecular Formula

C15H19N3O5S

Molecular Mass

353.39

Cite this Page

(4-Nitrophenyl)methyl (2S,4S)-2-[(dimethylamino)carbonyl]-4-mercapto-1-pyrrolidinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=96034-64-9 (retrieved 2024-04-30) (CAS RN: 96034-64-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    118-119 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H19N3O5S/c1-16(2)14(19)13-7-12(24)8-17(13)15(20)23-9-10-3-5-11(6-4-10)18(21)22/h3-6,12-13,24H,7-9H2,1-2H3/t12-,13-/m0/s1

InChIKey

InChIKey=VGLBNJWGUYQZHD-STQMWFEESA-N

SMILES

C(OCC1=CC=C(N(=O)=O)C=C1)(=O)N2[C@H](C(N(C)C)=O)C[C@H](S)C2

Canonical SMILES

O=C(OCC1=CC=C(C=C1)N(=O)=O)N2CC(S)CC2C(=O)N(C)C

Other Names for this Substance

  • 1-Pyrrolidinecarboxylic acid, 2-[(dimethylamino)carbonyl]-4-mercapto-, (4-nitrophenyl)methyl ester, (2S,4S)-
  • 1-Pyrrolidinecarboxylic acid, 2-[(dimethylamino)carbonyl]-4-mercapto-, (4-nitrophenyl)methyl ester, (2S-cis)-
  • (4-Nitrophenyl)methyl (2S,4S)-2-[(dimethylamino)carbonyl]-4-mercapto-1-pyrrolidinecarboxylate
  • (2S,4S)-2-Dimethylaminocarbonyl-4-mercapto-1-(p-nitrobenzyloxycarbonyl)-pyrrolidine
  • (2S,4S)-N,N-Dimethyl-1-(4-nitrobenzyloxycarbonyl)-4-mercaptopyrrolidine-2-carboxamide

Deleted or Replaced CAS Registry Numbers

158168-79-7

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