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Also known as: 34404-30-3, Boc-d-glutamic acid 1-benzyl ester, 1-benzyl n-boc-l-glutamate, Boc-d-glutamic acid a-benzyl ester, N-boc-d-glutamic acid benzyl ester, N-boc-d-glutamic acid 1-benzyl ester

Molecular Formula

C₁₇H₂₃NO₆

Molecular Weight

337.4 g/mol

InChI Key

CVZUKWBYQQYBTF-CYBMUJFWSA-N

1 2D Structure

Boc-D-Glu-OBzl

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid

2.1.2 InChI

InChI=1S/C17H23NO6/c1-17(2,3)24-16(22)18-13(9-10-14(19)20)15(21)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20)/t13-/m1/s1

2.1.3 InChI Key

CVZUKWBYQQYBTF-CYBMUJFWSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC(CCC(=O)O)C(=O)OCC1=CC=CC=C1

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CCC(=O)O)C(=O)OCC1=CC=CC=C1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 34404-30-3

2. Boc-d-glutamic Acid 1-benzyl Ester

3. 1-benzyl N-boc-l-glutamate

4. Boc-d-glutamic Acid A-benzyl Ester

5. N-boc-d-glutamic Acid Benzyl Ester

6. N-boc-d-glutamic Acid 1-benzyl Ester

7. (4r)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic Acid

8. N-(tert-butoxycarbonyl)-d-glutamic Acid 1-benzyl Ester

9. 1-benzyl N-boc-d-glutamate

10. Mfcd00038266

11. Boc-d-glu-obn

12. N-tert-butoxycarbonyl-d-glutamic Acid A-benzyl Ester

13. Chembl163796

14. Schembl2707177

15. Boc-d-glutamic Acid Benzyl Ester

16. Act10807

17. Zinc2390939

18. Akos015924138

19. D-glutamic Acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-(phenylmethyl)ester

20. Ac-8615

21. Boc-l-glutamic Acid-alpha-benzyl Ester

22. Cs-w011917

23. D24b937

24. Fd21384

25. Hy-w011201

26. As-18955

27. Boc-d-glu-obzl, >=98.0% (tlc)

28. Am20040142

29. B4303

30. 1-benzyl N-(tert-butoxycarbonyl)-d-glutamate

31. M04117

32. A820654

33. A851411

34. J-300108

35. Q-101800

36. (r)-5-(benzyloxy)-4-((tert-butoxycarbonyl)amino)-5-oxopentanoic Acid

37. N-alpha-t-butyloxycarbonyl-d-glutamic Acid Benzyl Ester (boc-d-glu-obzl)

38. (4r)-5-(benzyloxy)-4-{[(tert-butoxy)carbonyl]amino}-5-oxopentanoic Acid

2.3 Create Date

2006-07-29

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₃NO₆
Molecular Weight	337.4 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	337.15253745 g/mol
Monoisotopic Mass	337.15253745 g/mol
Topological Polar Surface Area	102 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	437
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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