Shanghai Stepuppharm

1012341-50-2

Chemistry, 6 End Use API, 18 Related Intermediates

Manufacturers/Suppliers

6 Suppliers

6 Suppliers

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

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 Formula	C₂₃H₂₉NO₄
Molecular Weight	383.5 g/mol
XLogP3	5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	383.20965841 g/mol
Monoisotopic Mass	383.20965841 g/mol
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	499
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

1012341-50-2

Intermediate Name

LCZ696

About the Company

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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