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Also known as: 84793-24-8, Ethyl (2s)-2-[(4s)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]-4-phenylbutanoate, N-[1-(s)-ethoxycarbonyl-3-phenylpropyl]-l-alanine-n-carboxyanhydride, Nq2zf6yuh8, N-[1-(s)-(+)-ethoxycarbonyl-3-phenylpropyl]-l-alanyl carboxyanhydride, Ethyl (s)-2-[(s)-4-methyl-2,5-dioxo-3-oxazolidinyl]-4-phenylbutanoate
Molecular Formula
C16H19NO5
Molecular Weight
305.32  g/mol
InChI Key
GFZFELCFSBCPDB-AAEUAGOBSA-N
FDA UNII
NQ2ZF6YUH8

CAS 84793-24-8
1 2D Structure

CAS 84793-24-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]-4-phenylbutanoate
2.1.2 InChI
InChI=1S/C16H19NO5/c1-3-21-15(19)13(10-9-12-7-5-4-6-8-12)17-11(2)14(18)22-16(17)20/h4-8,11,13H,3,9-10H2,1-2H3/t11-,13-/m0/s1
2.1.3 InChI Key
GFZFELCFSBCPDB-AAEUAGOBSA-N
2.1.4 Canonical SMILES
CCOC(=O)C(CCC1=CC=CC=C1)N2C(C(=O)OC2=O)C
2.1.5 Isomeric SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N2[C@H](C(=O)OC2=O)C
2.2 Other Identifiers
2.2.1 UNII
NQ2ZF6YUH8
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 84793-24-8

2. Ethyl (2s)-2-[(4s)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]-4-phenylbutanoate

3. N-[1-(s)-ethoxycarbonyl-3-phenylpropyl]-l-alanine-n-carboxyanhydride

4. Nq2zf6yuh8

5. N-[1-(s)-(+)-ethoxycarbonyl-3-phenylpropyl]-l-alanyl Carboxyanhydride

6. Ethyl (s)-2-[(s)-4-methyl-2,5-dioxo-3-oxazolidinyl]-4-phenylbutanoate

7. Ethyl (s)-2-[(s)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]-4-phenylbutyrate

8. N-[1-(s)-(ethoxycarbony1)-3-phenylpropyl]-l-alanine-n-carboxyanhydride

9. Ethyl (s)-2-((s)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)-4-phenylbutyrate

10. N-(1(s)-ethoxycarbonyl-3-phenylpropyl)-l-alanine N-carboxyanhydride

11. Mfcd00272296

12. Ethyl (2s)-2-((4s)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)-4-phenylbutanoate

13. Unii-nq2zf6yuh8

14. Ec 430-360-8

15. Schembl1998125

16. Dtxsid10432893

17. N-(1-(s)-ethoxycarbonyl-3-phenylpropyl)-l-alanyl-n-carboxyanhydride

18. Akos015920229

19. Zinc100009575

20. Cs-w012094

21. Ac-17998

22. As-72504

23. E1423

24. F11553

25. 793e248

26. A840927

27. J-520479

28. N-(1-(s)-ethoxycarbonyl-3-phenylpropyl)-1-alanyl-carboxyanhydride

29. Ethyl(s)-2-[(s)-4-methyl-2,5-dioxo-3-oxazolidinyl]-4-phenylbutanoate

30. N-[1-(s)-(ethoxycarbony1)-3-phenylpropyl]-l-alanine-ncarboxyanhydride

31. (2s)-2-[(4s)-4-methyl-2,5-dioxo-3-oxazolidinyl]-4-phenylbutanoic Acid Ethyl Ester

32. N-((s)-1-ethoxycarbonyl-3-phenylpropyl)-l-alanine-n-carboxylic Anhydride

33. N-[1-(s)-(+)-ethoxycarbonyl-3-phenylpropyl]-l-alanyl Carboxyanhydride, 97%

34. N-[1-(s)-ethoxycarbonyl-3-phenylpropyl]-n-carboxy-l-alanine Anhydride (nepa-nca)

35. N-[1-(s)-ethoxycarbonyl-3-phenylpropyl]-n-carboxy-l-alanine Anhydride(nepa-nca)

36. 3-oxazolidineacetic Acid, 4-methyl-2,5-dioxo-.alpha.-(2-phenylethyl)-, Ethyl Ester, (.alpha.s,4s)-

37. Ethyl (.alpha.s,4s)-4-methyl-2,5-dioxo-.alpha.-(2-phenylethyl)-3-oxazolidineacetate

38. Ethyl (2s)-2-[(4s)-4-methyl-2,5-bis(oxidanylidene)-1,3-oxazolidin-3-yl]-4-phenyl-butanoate

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 305.32 g/mol
Molecular Formula C16H19NO5
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass305.12632271 g/mol
Monoisotopic Mass305.12632271 g/mol
Topological Polar Surface Area72.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity430
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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