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(2S,4S)-4-(Acetylthio)-2-[(dimethylamino)carbonyl]-1-pyrrolidinecarboxylic Acid 4-Nitrobenzyl Ester-[d6]

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General Information
Catalog: BLP-006155
CAS: 1246816-04-5
Molecular Formula: C17H15D6N3O6S
Molecular Weight: 401.47

Chemical Structure

Description	(2S,4S)-4-(Acetylthio)-2-[(dimethylamino)carbonyl]-1-pyrrolidinecarboxylic Acid 4-Nitrobenzyl Ester-[d6] is the labelled analogue of (2S,4S)-4-(Acetylthio)-2-[(dimethylamino)carbonyl]-1-pyrrolidinecarboxylic Acid 4-Nitrobenzyl Ester, which is an intermediate in the production of Meropenem.
Synonyms	(2S,4S)-4-(Acetylthio)-2-[(dimethylamino)carbonyl]-1-pyrrolidinecarboxylic Acid 4-Nitrobenzyl Ester-d6; (2S-cis)-4-(Acetylthio)-2-[(dimethylamino)carbonyl]-1-pyrrolidinecarboxylic Acid (4-Nitrophenyl)methyl Ester-d6; 4-Nitrobenzyl (2S,4S)-4-(acetylthio)-2-[(dimethylamino)carbonyl]pyrrolidine-1-carboxylate-d6; (2S,4S)-4-acetylthio-2-dimethylaminocarbonyl-1-p-nitrobenzyloxycarbonylpyrrolidine-d6
IUPAC Name	(4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-[bis(trideuteriomethyl)carbamoyl]pyrrolidine-1-carboxylate
Related CAS	96034-61-6 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])N(C(=O)[C@@H]1C[C@@H](CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C)C([2H])([2H])[2H]
Canonical SMILES	CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N(C)C
InChI	InChI=1S/C17H21N3O6S/c1-11(21)27-14-8-15(16(22)18(2)3)19(9-14)17(23)26-10-12-4-6-13(7-5-12)20(24)25/h4-7,14-15H,8-10H2,1-3H3/t14-,15-/m0/s1/i2D3,3D3
InChI Key	SUQHNDGLACBBOE-RMKFAWGTSA-N
Appearance	Brown Oily Matter
Storage	Store at 2-8°C