CAS Registry Number®
96034-64-9
CAS Name
(4-Nitrophenyl)methyl (2S,4S)-2-[(dimethylamino)carbonyl]-4-mercapto-1-pyrrolidinecarboxylate
Molecular Formula
C15H19N3O5S
Molecular Mass
353.39
Compound Properties
-
Melting Point (1)
118-119 °C
Source(s)
- (1) Tewari, Neera; Synthetic Communications, (2006), 36(13), 1911-1914, CAplus
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
