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2D Structure
Also known as: 1,1-dimethylethyl 2-[(2s,3s)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]hydrazinecarboxylate, 198904-86-8, Des-n-(methoxycarbonyl)-l-tert-leucine bis-boc atazanavir, Zd25ta7yul, Hydrazinecarboxylic acid, 2-[(2s,3s)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]-, 1,1-dimethylethyl ester, Tert-butyl 2-((2s,3s)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazinecarboxylate
Molecular Formula
C32H42N4O5
Molecular Weight
562.7  g/mol
InChI Key
KYSDBVSJLBOZDZ-NSOVKSMOSA-N
FDA UNII
ZD25TA7YUL

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl N-[[(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]-[(4-pyridin-2-ylphenyl)methyl]amino]carbamate
2.1.2 InChI
InChI=1S/C32H42N4O5/c1-31(2,3)40-29(38)34-27(20-23-12-8-7-9-13-23)28(37)22-36(35-30(39)41-32(4,5)6)21-24-15-17-25(18-16-24)26-14-10-11-19-33-26/h7-19,27-28,37H,20-22H2,1-6H3,(H,34,38)(H,35,39)/t27-,28-/m0/s1
2.1.3 InChI Key
KYSDBVSJLBOZDZ-NSOVKSMOSA-N
2.2 Other Identifiers
2.2.1 UNII
ZD25TA7YUL
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1,1-dimethylethyl 2-[(2s,3s)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]hydrazinecarboxylate

2. 198904-86-8

3. Des-n-(methoxycarbonyl)-l-tert-leucine Bis-boc Atazanavir

4. Zd25ta7yul

5. Hydrazinecarboxylic Acid, 2-[(2s,3s)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]-, 1,1-dimethylethyl Ester

6. Tert-butyl 2-((2s,3s)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazinecarboxylate

7. Tert-butyl N-[[(2s,3s)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]-[(4-pyridin-2-ylphenyl)methyl]amino]carbamate

8. 2-[(2s,3s)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl] -2-[[4-(2-pyridinyl)phenyl]methyl]hydrazinecarboxylic Acid 1,1-dimethylethyl Ester

9. Tert-butyl N-[(1s,2s)-1-benzyl-3-[(tert-butoxycarbonylamino)-[[4-(2-pyridyl)phenyl]methyl]amino]-2-hydroxy-propyl]carbamate

10. Hydrazinecarboxylic Acid, 2-((2s,3s)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-((4-(2-pyridinyl)phenyl)methyl)-, 1,1-dimethylethyl Ester

11. Tert-butyl 2-{(2s,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-2-[4-(pyridin-2-yl)benzyl]hydrazinecarboxylate

12. Unii-zd25ta7yul

13. Schembl2175950

14. Dtxsid40477277

15. Bcp12785

16. Mfcd17019309

17. Akos015950829

18. 1-[4-(pyridin-2-yl)phenyl]-5(s)-2,5-bis[(tert-butyloxycarbonyl)-amino]-4(s)-hydroxyl-6-phenyl-2-azahexane

19. Ac-27024

20. Atazanavir Di-tert-butyl Analog [usp Impurity]

21. A1-03405

22. Atazanavir Sulfate Impurity J [ep Impurity]

23. 2-[(2s,3s)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]hydrazinecarboxylic Acid Tert-butyl Ester

24. Tert-butyl 2-((2s,3s)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazinecarboxylate.

25. Tert-butyl 2-[(2s,3s)-3-(tert-butoxyformamido)-2-hydroxy-4-phenylbutyl]-2-[[4-(pyridin-2-yl)phenyl]methyl]hydrazine-1-carboxylate

26. Tert-butyl 2-{(2s,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-2-{[4-(pyridin-2-yl)phenyl]methyl}hydrazine-1-carboxylate

27. Tert-butyl N-[(2s,3s)-4-{[(tert-butoxycarbonyl)amino]({[4-(pyridin-2-yl)phenyl]methyl})amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate

28. Tert-butyl2-((2s,3s)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazinecarboxylate

2.4 Create Date
2007-02-07
3 Chemical and Physical Properties
Molecular Weight 562.7 g/mol
Molecular Formula C32H42N4O5
XLogP35.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area113
Heavy Atom Count41
Formal Charge0
Complexity797
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1