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Technical details about CAS 103300-91-0, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 103300-91-0, Mu93v92tne, N2-(1-(s)-ethoxycarbonyl-3-phenylpropyl)-n6-trifluoroacetyl-l-lysine-l-proline, Lisinopril ester, N2-((s)-1-ethoxycarbonyl-3-phenylpropyl)-n6-trifluoroacetyl-l-lysyl-l-proline, L-proline, n2-((1s)-1-(ethylcarbonyl)-3-phenylpropyl)-n6-(2,2,2-trifluoroacetyl)-l-lysyl-
Molecular Formula
C25H34F3N3O6
Molecular Weight
529.5  g/mol
InChI Key
WEPXGLCNGPXOQG-UFYCRDLUSA-N
FDA UNII
MU93V92TNE

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-6-[(2,2,2-trifluoroacetyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid
2.1.2 InChI
InChI=1S/C25H34F3N3O6/c1-2-37-23(35)19(14-13-17-9-4-3-5-10-17)30-18(11-6-7-15-29-24(36)25(26,27)28)21(32)31-16-8-12-20(31)22(33)34/h3-5,9-10,18-20,30H,2,6-8,11-16H2,1H3,(H,29,36)(H,33,34)/t18-,19-,20-/m0/s1
2.1.3 InChI Key
WEPXGLCNGPXOQG-UFYCRDLUSA-N
2.1.4 Canonical SMILES
CCOC(=O)C(CCC1=CC=CC=C1)NC(CCCCNC(=O)C(F)(F)F)C(=O)N2CCCC2C(=O)O
2.1.5 Isomeric SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N2CCC[C@H]2C(=O)O
2.2 Other Identifiers
2.2.1 UNII
MU93V92TNE
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 103300-91-0

2. Mu93v92tne

3. N2-(1-(s)-ethoxycarbonyl-3-phenylpropyl)-n6-trifluoroacetyl-l-lysine-l-proline

4. Lisinopril Ester

5. N2-((s)-1-ethoxycarbonyl-3-phenylpropyl)-n6-trifluoroacetyl-l-lysyl-l-proline

6. L-proline, N2-((1s)-1-(ethylcarbonyl)-3-phenylpropyl)-n6-(2,2,2-trifluoroacetyl)-l-lysyl-

7. N2-1[(1s)-ethoxycarbonyl-3-phenylpropyl]-n6-trifluoroacetyl-l-lysyl-l-proline

8. Unii-mu93v92tne

9. Schembl6151030

10. Dtxsid501124224

11. Zinc33974798

12. Akos015998839

13. N2-((s)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)-n6-(2,2,2-trifluoroacetyl)-l-lysyl-l-proline

14. Cs-0445286

15. Lisopril Ethyl Ester N6-trifluoracetamide

16. 300e910

17. A800713

18. Q27284232

19. N2-[(1s)-1-(ethoxycarbonyl)-3-phenylpropyl]-n6-(2,2,2-trifluoroacetyl)-l-lysyl-l-proline

20. (2s)-1-[(2s)-2-{[(2s)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-6-(trifluoroacetamido)hexanoyl]pyrrolidine-2-carboxylic Acid

21. (s)-1-((s)-2-(((s)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino)-6-(2,2,2-trifluoroacetamido)hexanoyl)pyrrolidine-2-carboxylicacid

22. L-proline, 1-(n2-(1-(ethoxycarbonyl)-3-phenylpropyl)-n6-(trifluoroacetyl)-l-lysyl)-, (s)-

23. L-proline, N2-((1s)-1-(ethoxycarbonyl)-3-phenylpropyl)-n6-(2,2,2-trifluoroacetyl)-l-lysyl-

24. L-proline, N2-((1s)-1-(ethoxycarbonyl)-3-phenylpropyl)-n6-(trifluoroacetyl)-l-lysyl-

25. Proline, N2-((1s)-1-(ethylcarbonyl)-3-phenylpropyl)-n6-(2,2,2-trifluoroacetyl)-lysyl-

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 529.5 g/mol
Molecular Formula C25H34F3N3O6
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area125
Heavy Atom Count37
Formal Charge0
Complexity773
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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