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Also known as: 86299-47-0, (z)-2-amino-alpha-[1-(tert-butoxycarbonyl)]-1-methylethoxyimino-4-thiazolacetic acid, (2z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid, (z)-2-amino-alpha-[1-(tert-butoxycarbonyl)]-1-1-methylethoxyimino-4-thiazolacetic acid, Mfcd00071569, (z)-2-(2-aminothiazol-4-yl)-2-[(1-tert-butoxycarbonyl-1-methylethoxy)imino]acetic acid
Molecular Formula
C13H19N3O5S
Molecular Weight
329.37  g/mol
InChI Key
FNRZBOJFRDVEOG-PXNMLYILSA-N

CAS 86299-47-0
1 2D Structure

CAS 86299-47-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid
2.1.2 InChI
InChI=1S/C13H19N3O5S/c1-12(2,3)20-10(19)13(4,5)21-16-8(9(17)18)7-6-22-11(14)15-7/h6H,1-5H3,(H2,14,15)(H,17,18)/b16-8-
2.1.3 InChI Key
FNRZBOJFRDVEOG-PXNMLYILSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)C(C)(C)ON=C(C1=CSC(=N1)N)C(=O)O
2.1.5 Isomeric SMILES
CC(C)(C)OC(=O)C(C)(C)O/N=C(/C1=CSC(=N1)N)\C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 86299-47-0

2. (z)-2-amino-alpha-[1-(tert-butoxycarbonyl)]-1-methylethoxyimino-4-thiazolacetic Acid

3. (2z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic Acid

4. (z)-2-amino-alpha-[1-(tert-butoxycarbonyl)]-1-1-methylethoxyimino-4-thiazolacetic Acid

5. Mfcd00071569

6. (z)-2-(2-aminothiazol-4-yl)-2-[(1-tert-butoxycarbonyl-1-methylethoxy)imino]acetic Acid

7. Mls000714253

8. Schembl2833601

9. Chembl3212852

10. (z)-(2-aminothiazole-4-yl)-2-(tert-butoxycarbonyl)isopropoxyimino)acetic Acid

11. (z)-2-(2-amino-4-thiazolyl)-2-[[[1-(tert-butoxy)-2-methyl-1-oxo-2-propyl]oxy]imino]acetic Acid

12. Ac-075

13. Akos000520616

14. Cs-w006175

15. Am101387

16. As-13249

17. Ls-14237

18. Smr000274233

19. 299a470

20. Sr-01000314746

21. J-502583

22. Sr-01000314746-1

23. (z)-2-amino-alpha-[1-(tert-butoxycarbonyl)]-1-1-methylethoxyimino-4

24. (z)-(2-amino-alpha-[1-(tert-butoxycarbonyl)]-1-methylethoxyimino-4-thiazolacetic Acid

25. (z)-2-(2-tert-butoxycarbonylprop-2-oxyimino)-2-(2-amino-thiazol-4-yl) Acetic Acid

26. (z)-2-(2-tert-butoxycarbonylprop-2-oxyimino)-2-(2-amino-thiazol-4-yl)acetic Acid

27. (z)-2-amino-alpha-[1-(tert-butoxycarbonyl)]-1-methylethoxyimino-4-thiazolaceticacid

28. (z)-2-(2-aminothiazol-4-yl)-2-(((1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)oxy)imino)aceticacid

29. 2-[1-(2-aminothiazol-4-yl)-1-carboxy-meth-(z)-ylideneaminooxy]-2-methylpropanoic Acid Tert-butyl Ester

2.3 Create Date
2005-09-17
3 Chemical and Physical Properties
Molecular Weight 329.37 g/mol
Molecular Formula C13H19N3O5S
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass329.10454189 g/mol
Monoisotopic Mass329.10454189 g/mol
Topological Polar Surface Area152 Ų
Heavy Atom Count22
Formal Charge0
Complexity473
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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