St Pharma

CAS 162537-11-3

Chemistry, 7 End Use API, 23 Related Intermediates

Manufacturers/Suppliers

7 Suppliers

7 Suppliers

Also known as: 162537-11-3, Methoxycarbonyl-l-tert-leucine, N-(methoxycarbonyl)-l-tert-leucine, N-methoxycarbonyl-l-tert-leucine, (s)-n-(methoxycarbonyl)-tert-leucine, L-valine, n-(methoxycarbonyl)-3-methyl-

Molecular Formula

C₈H₁₅NO₄

Molecular Weight

189.21 g/mol

InChI Key

NWPRXAIYBULIEI-RXMQYKEDSA-N

FDA UNII

0L7G8ZHR2P

1 2D Structure

CAS 162537-11-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid

2.1.2 InChI

InChI=1S/C8H15NO4/c1-8(2,3)5(6(10)11)9-7(12)13-4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m1/s1

2.1.3 InChI Key

NWPRXAIYBULIEI-RXMQYKEDSA-N

2.1.4 Canonical SMILES

CC(C)(C)C(C(=O)O)NC(=O)OC

2.1.5 Isomeric SMILES

CC(C)(C)[C@@H](C(=O)O)NC(=O)OC

2.2 Other Identifiers

2.2.1 UNII

0L7G8ZHR2P

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 162537-11-3

2. Methoxycarbonyl-l-tert-leucine

3. N-(methoxycarbonyl)-l-tert-leucine

4. N-methoxycarbonyl-l-tert-leucine

5. (s)-n-(methoxycarbonyl)-tert-leucine

6. L-valine, N-(methoxycarbonyl)-3-methyl-

7. Moc-l-tert-leucine

8. (s)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic Acid

9. (2s)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic Acid

10. 0l7g8zhr2p

11. N-(methoxycarbonyl)-3-methyl-l-valine

12. (2s)-2-((methoxycarbonyl)amino)-3,3-dimethylbutanoic Acid

13. (2s)-2-[(methoxycarbonyl)amino]-3,3-dimethylbutanoic Acid

14. Mfcd07778455

15. Atazanavir Related Compound A

16. Atazanavir Impurity K

17. Methoxycarbonyl-t-leucine

18. (s)-2-methoxycarbonylamino-3,3-dimethylbutyric Acid

19. Unii-0l7g8zhr2p

20. Schembl6418

21. Dtxsid80460466

22. Act06799

23. Bcp04718

24. Cs-b0635

25. N-methoxycarbonyl-(l)-tert-leucine

26. N-methoxycarbonyl-3-methyl-l-valine

27. Zinc16698174

28. Akos010384614

29. N-(methoxycarbonyl)-(l)-tert-leucine

30. Ac-23469

31. As-16159

32. Hy-59135

33. Db-109677

34. Atazanavir Related Compound A [usp-rs]

35. 537m113

36. Atazanavir Related Compound A [usp Impurity]

37. Atazanavir Sulfate Impurity K [ep Impurity]

38. Q-102796

39. (s)-2-((methoxycarbonyl)amino)-3,3-dimethylbutanoicacid

40. 302555-22-2

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₅NO₄
Molecular Weight	189.21 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	189.10010796 g/mol
Monoisotopic Mass	189.10010796 g/mol
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	207
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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

98760-08-8

End Use API

Atazanavir

About the Company

Founded in 1983, ST Pharm (formerly known as Samchully Pharmaceutical) has been offering excellent custom...

Founded in 1983, ST Pharm (formerly known as Samchully Pharmaceutical) has been offering excellent custom manufacturing services of APIs and their intermediates to meet clients’ high expectation for their use in pharmaceutical development and be compliant to cGMP requirements. Our reliability in service, which is well-proven through decades of business relationship with many big pharmas and biotech clients, is the essence of our strength along with our expertise in process development and scale-up optimization.

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