(4S)-1-(4-Nitrobenzyloxycarbonyl)-4-mercapto-N,N-dimethyl-L-prolinamide

Chemistry, 1 End Use API, 4 Related Intermediates

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2 Intermediates

2 Intermediates

(4S)-1-(4-Nitrobenzyloxycarbonyl)-4-mercapto-N,N-dimethyl-L-prolinamide

Also known as: 96034-64-9, Side chain for meropenem, (2s,4s)-2-(dimethylaminocarbonyl)-4-mercapto-1-(p-nitrobenzyloxycarbonyl)-1-pyrrolidine, (4-nitrophenyl)methyl (2s,4s)-2-(dimethylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate, 2s cis pnb(side chain), (2s,4s)-2-(dimethylaminocarbonyl)-4-mercapto-1-(p-nitrobenzyloxycarbonyl)pyrrolidine

Molecular Formula

C₁₅H₁₉N₃O₅S

Molecular Weight

353.4 g/mol

InChI Key

VGLBNJWGUYQZHD-STQMWFEESA-N

1 2D Structure

(4S)-1-(4-Nitrobenzyloxycarbonyl)-4-mercapto-N,N-dimethyl-L-prolinamide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4-nitrophenyl)methyl (2S,4S)-2-(dimethylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate

2.1.2 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

2.1.3 InChI Key

VGLBNJWGUYQZHD-STQMWFEESA-N

2.1.4 Canonical SMILES

CN(C)C(=O)C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

2.1.5 Isomeric SMILES

CN(C)C(=O)[C@@H]1C[C@@H](CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 96034-64-9

2. Side Chain For Meropenem

3. (2s,4s)-2-(dimethylaminocarbonyl)-4-mercapto-1-(p-nitrobenzyloxycarbonyl)-1-pyrrolidine

4. (4-nitrophenyl)methyl (2s,4s)-2-(dimethylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate

5. 2s Cis Pnb(side Chain)

6. (2s,4s)-2-(dimethylaminocarbonyl)-4-mercapto-1-(p-nitrobenzyloxycarbonyl)pyrrolidine

7. Schembl336792

8. Dtxsid20446628

9. (2s,4s)-2-(dimethylaminocarbonyl)-4-mercapto -1-(p-nitrobenzyloxycarbonyl)-1-pyrrolidine

10. Amy33366

11. Bcp22934

12. Mfcd08063348

13. Zinc16696702

14. Akos015919512

15. Akos025395654

16. Ac-5311

17. Cs-w006146

18. (2s,4s)-2-(dimethylaminocarblnyl)-4-mercapto-1-(4'-nitrobenzyloxycarbonyl)-1-pyrrolidine

19. (2s,4s)-2-(dimethylaminocarbonyl)-4-mercapto-1-(4'-nitrobenzyloxycarbonyl)-1-pyrrolidine

20. (2s,4s)-4-nitrobenzyl2-(dimethylcarbamoyl)-4-mercaptopyrrolidine-1-carboxylate

21. As-13574

22. N0828

23. 034d649

24. A845535

25. Q-101434

26. (4s)-1-(4-nitrobenzyloxycarbonyl)-4-mercapto-n,n-dimethyl-l-prolinamide

27. (2s,4s)-1-(p-nitrobenzyloxycarbonyl)-2-dimethylcarbamoyl-4-mercaptopyrrolidine

28. (2s,4s)-2-(dimethylaminocarbonyl)-4-mercapto-1-(pnitrobenzyloxycarbonyl)-1-pyrrolidine

29. (2s,4s)-2-(dimethylcarbamoyl)-4-mercapto-1-pyrrolidinecarboxylic Acid 4-nitrobenzyl Ester

30. (2s,4s)-2-dimethylcarbamoyl-1-(4-nitrobenzyloxycarbonyl)-4-mercaptopyrrolidine

31. (2s,4s)-dimethylcarbamoyl-1-(4-nitrobenzyloxycarbonyl)-4-mercaptopyrrolidine

32. (4-nitrophenyl)methyl 2-(dimethylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate

33. 4-nitrobenzyl (2s,4s)-2-(dimethylcarbamoyl)-4-mercapto-1-pyrrolidinecarboxylate

34. 4-nitrobenzyl (2s,4s)-2-[(dimethylamino)carbonyl]-4- Mercaptopyrrolidine-1-carboxylate

35. 4-nitrobenzyl (2s,4s)-2-[(dimethylamino)carbonyl]-4-mercaptopyrrolidine-1-carboxylate

36. (2s,4s)-2-dimethylcarbamoyl-4-mercapto-pyrrolidine-1-carboxylic Acid 4-nitro-benzyl Ester;(2s,4s)-2-(dimethylaminocarbonyl)-4-mercapto-1-(4'-nitrobenzyloxycarbonyl)-1-pyrrolidine

37. 1-pyrrolidinecarboxylic Acid, 2-[(dimethylamino)carbonyl]-4-mercapto-,(4-nitrophenyl)methyl Ester, (2s,4s)-

38. 4-nitrobenzyl (2s,4s)-2-(dimethylcarbamoyl)-4-sulfanyl-1-pyrrolidinecarboxylate, Antibiotic For Culture Media Use Only

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₉N₃O₅S
Molecular Weight	353.4 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	353.10454189 g/mol
Monoisotopic Mass	353.10454189 g/mol
Topological Polar Surface Area	96.7 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	488
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

96034-64-9

Intermediate Name

(2S,4S) -2-(dimethylaminocarbonyl)-...

About the Company

Jiangsu Yutian Pharmaceutical Co., Ltd. is located in Dapu Pharmaceutical Zone of Lianyungang City in Jia...

Jiangsu Yutian Pharmaceutical Co., Ltd. is located in Dapu Pharmaceutical Zone of Lianyungang City in Jiangsu Province. It is a new and high-tech enterprise engaged in research and production of bulk pharmaceutical chemicals, medical high-grade intermediate and other fine chemicals. We make efforts to provide wide customers with superior quality product. Covering an area of 66400 square meters and a construction area of 37600 square meters, our company has 8 synthesis plants, 1 GMP and FDA standard cleaning shop, modern and advanced production equipment, leading grade laboratory and excellent quality control center. In addition, there is outstanding technology development, production and management talents. Due to high quality and superior service, our products have been exported to Japan, South Korea, India and Europe. We sincerely welcome wide customers to visit us and pay guidance on our work! We would like to create brilliant future hand in hand with you!

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