Close
4
USFDA-Insert
X

Overview of 196404-55-4

Client Email Product
(4S,5R)-3-tert-butoxycarbonyl-2-(4-methoxyphenyl)-4-phenyl-oxazolidine-5-carboxylic acid
PharmaCompass
(4S,5R)-3-tert-butoxycarbonyl-2-(4-methoxyphenyl)-4-phenyl-oxazolidine-5-carboxylic acid
Also known as: 196404-55-4, (4s,5r)-3-tert-butoxycarbony-2-(4-anisyl)-4-phenyl-5-oxazolidinecarboxylic acid, (4s,5r)-3-tert-butoxycarbony-2-(4-anisyl)-4- phenyl-5-oxazolidine carboxylic acid, Ak-44901, Schembl7134268, Ctk8b4342
Molecular Formula
C22H25NO6
Molecular Weight
399.4  g/mol
InChI Key
MSVWUXLRSKRKFZ-PAMZHZACSA-N

1 2D Structure

(4S,5R)-3-tert-butoxycarbonyl-2-(4-methoxyphenyl)-4-phenyl-oxazolidine-5-carboxylic acid

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4S,5R)-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic acid
2.1.2 InChI
InChI=1S/C22H25NO6/c1-22(2,3)29-21(26)23-17(14-8-6-5-7-9-14)18(20(24)25)28-19(23)15-10-12-16(27-4)13-11-15/h5-13,17-19H,1-4H3,(H,24,25)/t17-,18+,19?/m0/s1
2.1.3 InChI Key
MSVWUXLRSKRKFZ-PAMZHZACSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)N1C(C(OC1C2=CC=C(C=C2)OC)C(=O)O)C3=CC=CC=C3
2.1.5 Isomeric SMILES
CC(C)(C)OC(=O)N1[C@H]([C@@H](OC1C2=CC=C(C=C2)OC)C(=O)O)C3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 196404-55-4

2. (4s,5r)-3-tert-butoxycarbony-2-(4-anisyl)-4-phenyl-5-oxazolidinecarboxylic Acid

3. (4s,5r)-3-tert-butoxycarbony-2-(4-anisyl)-4- Phenyl-5-oxazolidine Carboxylic Acid

4. Ak-44901

5. Schembl7134268

6. Ctk8b4342

7. Dtxsid10457445

8. Anw-44743

9. Mfcd09837613

10. Akos015902337

11. Ac-23877

12. An-30050

13. As-11439

14. Ax8041420

15. Db-065904

16. St2414361

17. Tc-133488

18. Ft-0697924

19. St24034051

20. 404b554

21. I14-13526

22. (4s,5r)-3-tert-butoxycarbonyl-2-(4-anisyl)-4-phenyl-5-oxazolidinecarboxylic Acid

23. (4s,5r)-3-tert-butoxycarbonyl-2-(4-methoxyphenyl)-4-phenyl-oxazolidine-5-carboxylic Acid

24. (4s,5r)-2-(4-methoxyphenyl)-3-(tert-butyloxycarbonyl)-4-phenyloxazolidine-5-carboxylic Acid

25. (4s,5r)-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic Acid

26. (4s,5r)-2-(4-methoxyphenyl)-4-phenyl-3,5-oxazolidinedicarboxylic Acid 3-(1,1-dimethylethyl)ester

27. (4s,5r)-3-(tert-butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic Acid

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 399.4 g/mol
Molecular Formula C22H25NO6
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass399.168188 g/mol
Monoisotopic Mass399.168188 g/mol
Topological Polar Surface Area85.3 A^2
Heavy Atom Count29
Formal Charge0
Complexity574
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty

Advertise With Us

Advertise With Us