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Also known as: 1012341-50-2, (2r,4s)-5-biphenyl-4-yl-4-tert-butoxycarbonylamino-2-methylpentanoic acid, Fj7awx8dmf, (2r,4s)-5-(biphenyl-4-yl)-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic acid, (2r,4s)-5-([1,1-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methylpentanoic acid, (2r,4s)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid
Molecular Formula
C23H29NO4
Molecular Weight
383.5  g/mol
InChI Key
YNELJETWNMPEEH-UZLBHIALSA-N
FDA UNII
FJ7AWX8DMF

CAS 1012341-50-2
1 2D Structure

CAS 1012341-50-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R,4S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid
2.1.2 InChI
InChI=1S/C23H29NO4/c1-16(21(25)26)14-20(24-22(27)28-23(2,3)4)15-17-10-12-19(13-11-17)18-8-6-5-7-9-18/h5-13,16,20H,14-15H2,1-4H3,(H,24,27)(H,25,26)/t16-,20+/m1/s1
2.1.3 InChI Key
YNELJETWNMPEEH-UZLBHIALSA-N
2.1.4 Canonical SMILES
CC(CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)OC(C)(C)C)C(=O)O
2.1.5 Isomeric SMILES
C[C@H](C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)OC(C)(C)C)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
FJ7AWX8DMF
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1012341-50-2

2. (2r,4s)-5-biphenyl-4-yl-4-tert-butoxycarbonylamino-2-methylpentanoic Acid

3. Fj7awx8dmf

4. (2r,4s)-5-(biphenyl-4-yl)-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic Acid

5. (2r,4s)-5-([1,1-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methylpentanoic Acid

6. (2r,4s)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic Acid

7. (2r,4s)-5-((1,1'-biphenyl)-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methylpentanoic Acid

8. 5-((1,1'-biphenyl)-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methylpentanoic Acid, (2r,4s)-

9. Mfcd27955981

10. (1,1'-biphenyl)-4-pentanoic Acid, Gamma-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-methyl-, (alphar,gammas)-

11. [1,1'-biphenyl]-4-pentanoic Acid, Gamma-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-methyl-, (alphar,gammas)-

12. Unii-fj7awx8dmf

13. Schembl597902

14. (2r,4s)-5-(4-biphenylyl)-4-(boc-amino)-2-methylpentanoic Acid

15. Ambz0395

16. Dtxsid001123526

17. Akos027324883

18. Zinc112971388

19. Am85444

20. Ac-28990

21. Ds-11562

22. Cs-0009331

23. A854795

24. (2r,4s)-5-biphenyl-4-yl-4-tert-butoxycarbonylamino-2-methyl-pentanoic Acid

25. (2r,4s)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methylpentanoicacid

26. (2r,4s)-5-(biphenyl-4-yl)-4-(tert-butoxycarbonylamino)-2-methylpentanoic Acid

27. (1,1'-biphenyl)-4-pentanoic Acid, .gamma.-(((1,1-dimethylethoxy)carbonyl)amino)-.alpha.-methyl-, (.alpha.r,.gamma.s)-

28. (2r,4s)-5-(biphenyl-4-yl)-4-[(3-carboxypropionyl)amino]-2- Methylpentanoic Acid Ethyl Ester

29. (alphar,gammas)-gamma-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-methyl[1,1'-biphenyl]-4-pentanoic Acid

2.4 Create Date
2010-07-06
3 Chemical and Physical Properties
Molecular Weight 383.5 g/mol
Molecular Formula C23H29NO4
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass383.20965841 g/mol
Monoisotopic Mass383.20965841 g/mol
Topological Polar Surface Area75.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity499
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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