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CAS 1012341-50-2
Also known as: 1012341-50-2, (2r,4s)-5-biphenyl-4-yl-4-tert-butoxycarbonylamino-2-methylpentanoic acid, Fj7awx8dmf, (2r,4s)-5-(biphenyl-4-yl)-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic acid, (2r,4s)-5-([1,1-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methylpentanoic acid, (2r,4s)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid
Molecular Formula
C23H29NO4
Molecular Weight
383.5  g/mol
InChI Key
YNELJETWNMPEEH-UZLBHIALSA-N
FDA UNII
FJ7AWX8DMF

1 2D Structure

CAS 1012341-50-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R,4S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid
2.1.2 InChI
InChI=1S/C23H29NO4/c1-16(21(25)26)14-20(24-22(27)28-23(2,3)4)15-17-10-12-19(13-11-17)18-8-6-5-7-9-18/h5-13,16,20H,14-15H2,1-4H3,(H,24,27)(H,25,26)/t16-,20+/m1/s1
2.1.3 InChI Key
YNELJETWNMPEEH-UZLBHIALSA-N
2.1.4 Canonical SMILES
CC(CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)OC(C)(C)C)C(=O)O
2.1.5 Isomeric SMILES
C[C@H](C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)OC(C)(C)C)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
FJ7AWX8DMF
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1012341-50-2

2. (2r,4s)-5-biphenyl-4-yl-4-tert-butoxycarbonylamino-2-methylpentanoic Acid

3. Fj7awx8dmf

4. (2r,4s)-5-(biphenyl-4-yl)-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic Acid

5. (2r,4s)-5-([1,1-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methylpentanoic Acid

6. (2r,4s)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic Acid

7. (2r,4s)-5-((1,1'-biphenyl)-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methylpentanoic Acid

8. 5-((1,1'-biphenyl)-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methylpentanoic Acid, (2r,4s)-

9. Mfcd27955981

10. (1,1'-biphenyl)-4-pentanoic Acid, Gamma-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-methyl-, (alphar,gammas)-

11. [1,1'-biphenyl]-4-pentanoic Acid, Gamma-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-methyl-, (alphar,gammas)-

12. Unii-fj7awx8dmf

13. Schembl597902

14. (2r,4s)-5-(4-biphenylyl)-4-(boc-amino)-2-methylpentanoic Acid

15. Ambz0395

16. Dtxsid001123526

17. Akos027324883

18. Zinc112971388

19. Am85444

20. Ac-28990

21. Ds-11562

22. Cs-0009331

23. A854795

24. (2r,4s)-5-biphenyl-4-yl-4-tert-butoxycarbonylamino-2-methyl-pentanoic Acid

25. (2r,4s)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methylpentanoicacid

26. (2r,4s)-5-(biphenyl-4-yl)-4-(tert-butoxycarbonylamino)-2-methylpentanoic Acid

27. (1,1'-biphenyl)-4-pentanoic Acid, .gamma.-(((1,1-dimethylethoxy)carbonyl)amino)-.alpha.-methyl-, (.alpha.r,.gamma.s)-

28. (2r,4s)-5-(biphenyl-4-yl)-4-[(3-carboxypropionyl)amino]-2- Methylpentanoic Acid Ethyl Ester

29. (alphar,gammas)-gamma-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-methyl[1,1'-biphenyl]-4-pentanoic Acid

2.4 Create Date
2010-07-06
3 Chemical and Physical Properties
Molecular Weight 383.5 g/mol
Molecular Formula C23H29NO4
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass383.20965841 g/mol
Monoisotopic Mass383.20965841 g/mol
Topological Polar Surface Area75.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity499
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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CAS-1012341-50-2
Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological develop...
Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.
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LCZ696 Intermediate
We are CDMO engaged in drug impurities research, customed synthesis for almost 10 years. In addition, we ...
We are CDMO engaged in drug impurities research, customed synthesis for almost 10 years. In addition, we establish a long-term in-depth partnerships with many worldwide pharma, especially including USP, EP, LGC, Clearsynth, etc. Our main products cover drug impurity standards, intermediates, & other pharmaceutical refs. standards with customers' desired purity. Most of our products are in stock and at a competitive price. Posaconazole key intermediates are now available for kg specification bulk quote: POS-A,CAS#149809-43-8, POS-B, CAS#184177-83-1 Sacubitril/valsartan (LCZ696) intermediate: CAS#1012341-50-2 available for a bulk quote.
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Bulat Pharmaceutical is a fast growing pharmaceutical company, founded in the year 2017, Bulat Pharmaceut...
Bulat Pharmaceutical is a fast growing pharmaceutical company, founded in the year 2017, Bulat Pharmaceutical is engaged in the manufacturing and sales of high quality APIs and Intermediates.
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LCZ696
Shanghai Stepuppharm has a strong technical development troop and most of our technological backbone are ...
Shanghai Stepuppharm has a strong technical development troop and most of our technological backbone are Senior R&D persons and have more than 10 years experience in the Drug R&D field. Our core competitiveness is the Process development and optimization including Route design, process optimization to industrial production,of the API and their intermediate product. According to customer demand, we are able to offer the professional and integrated service of the drug process de
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Xi'an caijing opto-Electrical Science & Technology Co.,Ltd.(briefed as CJOE), located in Xi'an High-Tech ...
Xi'an caijing opto-Electrical Science & Technology Co.,Ltd.(briefed as CJOE), located in Xi'an High-Tech Development Zone with a registered capital of 90 million Yuan, is a high-tech joint-stock enterprise and has been engaged in manufacture, R & D and trade. Our major investors are well-known domestic institute and companies including: Xi'an Modern Chemistry Research Institute, Xi'an DongFang Group.,Ltd, Beijing Minghang Science & Technology Development Co., Ltd. etc. We have the self-supported import and export right and our business is dedicated to liquid crystal display materials, organic electroluminescent materials and fine chemicals.
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Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise ...
Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise integrating drug research and development, production, and sales. It is located in Jinwan District, Zhuhai City, Guangdong Province. It was established in 1999. On January 5, 2018, the company was listed on the Shenzhen Stock Exchange (stock abbreviation: Rundu; stock code: 002923). The company's main business is the research and development, production, and sales of chemical-pharmaceutical preparations, chemical raw materials, and pharmaceutical intermediates. field.
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