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Also known as: 847-776-4, Boc-ser(tos)-ome, 56926-94-4, Mfcd01632224, Methyl (2s)-3-(4-methylphenyl)sulfonyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate, N-boc-o-tosyl-l-serine methyl ester
Molecular Formula
C16H23NO7S
Molecular Weight
373.4  g/mol
InChI Key
VVBLIPVUGGNLGW-ZDUSSCGKSA-N

CAS 56926-94-4
1 2D Structure

CAS 56926-94-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl (2S)-3-(4-methylphenyl)sulfonyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
2.1.2 InChI
InChI=1S/C16H23NO7S/c1-11-6-8-12(9-7-11)25(20,21)23-10-13(14(18)22-5)17-15(19)24-16(2,3)4/h6-9,13H,10H2,1-5H3,(H,17,19)/t13-/m0/s1
2.1.3 InChI Key
VVBLIPVUGGNLGW-ZDUSSCGKSA-N
2.2 Synonyms
2.2.1 MeSH Synonyms

1. (none)

2.2.2 Depositor-Supplied Synonyms

1. 847-776-4

2. Boc-ser(tos)-ome

3. 56926-94-4

4. Mfcd01632224

5. Methyl (2s)-3-(4-methylphenyl)sulfonyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

6. N-boc-o-tosyl-l-serine Methyl Ester

7. Methyl N-(t-butoxycarbonyl)-o-tosyl-l-serinate

8. Boc-l-ser(tos)-och3

9. Schembl9459961

10. Dtxsid70426556

11. N-boc-o-tosylserine Methyl Ester

12. Vvblipvuggnlgw-zdusscgksa-n

13. Cs-m3183

14. Akos015888380

15. Fb72160

16. Ds-14868

17. Hy-79877

18. Pd196133

19. Sy030350

20. M03324

21. O10224

22. Methyl (2s)-2-(tert-butoxycarbonylamino)-3-(p-tolylsulfonyloxy)propanoate

23. Methyl 3-(p-toluenesulfonyloxy)-2-(s)-(t-butoxycarbonylamino)propionate

24. (2s)-2-[n-(tert-butoxycarbonyl)amino]-3-[[(4-methylphenyl)sulfonyl]oxy]propionate

25. (s)-2,6-bis(tert-butyloxycarbonylamino)hexanoic Acid; Di(n-boc)-l-lysine; Di-tert-butoxycarbonyl-l-lysine

2.3 Create Date
2006-07-29
3 Chemical and Physical Properties
Molecular Weight 373.4 g/mol
Molecular Formula C16H23NO7S
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area116
Heavy Atom Count25
Formal Charge0
Complexity554
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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