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Also known as: 149690-12-0, (2r,4s)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate hydrochloride, (2r,4s)-4-amino-5-biphenyl-4-yl-2-methylpentanoic acid ethyl ester hydrochloride, (2r,4s)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate hcl salt, Ethyl (2r,4s)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride, (2r,4s)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate hcl
Molecular Formula
C20H26ClNO2
Molecular Weight
347.9  g/mol
InChI Key
MYJTZLYRAWUSLB-WSCVZUBPSA-N

CAS 149690-12-0
1 2D Structure

CAS 149690-12-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride
2.1.2 InChI
InChI=1S/C20H25NO2.ClH/c1-3-23-20(22)15(2)13-19(21)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17;/h4-12,15,19H,3,13-14,21H2,1-2H3;1H/t15-,19+;/m1./s1
2.1.3 InChI Key
MYJTZLYRAWUSLB-WSCVZUBPSA-N
2.1.4 Canonical SMILES
CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)N.Cl
2.1.5 Isomeric SMILES
CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)N.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 149690-12-0

2. (2r,4s)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate Hydrochloride

3. (2r,4s)-4-amino-5-biphenyl-4-yl-2-methylpentanoic Acid Ethyl Ester Hydrochloride

4. (2r,4s)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate Hcl Salt

5. Ethyl (2r,4s)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride

6. (2r,4s)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate Hcl

7. Mfcd27955986

8. Schembl597844

9. Ambz0397

10. Zfa69012

11. Akos027324882

12. Am85595

13. Ac-28985

14. Cs-13047

15. Cs-0009332

16. A854857

17. (2r,4s)-4-amino-5-(biphenyl-4-yl)-2-methylpentanoic Acid Ethyl Ester Hcl

18. (2r,4s)-ethyl 4-amino-5-(biphenyl-4-yl)-2-methylpentanoate Hydrochloride

19. (2r,4s)-4-amino-5-biphenyl-4-yl-2-methyl-pentanoic Acid Ethyl Ester Hydrochloride

20. (2r,4s)-4-amino-5-biphenyl-4-yl-2-methyl-pentanoic Acid Ethyl Ester Hydrochloride Salt

21. (2r,4s)-ethyl 4-amino-5-(biphenyl-4-yl)-2-methylpentanoate Hydrochloride Salt

22. (2r,4s)-ethyl5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoatehydrochloride

23. Ahu-377; (2r,4s)-4-amino-5-(biphenyl-4-yl)-2-methylpentanoic Acid Ethyl Ester Hydrochloride

2.3 Create Date
2008-11-03
3 Chemical and Physical Properties
Molecular Weight 347.9 g/mol
Molecular Formula C20H26ClNO2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass347.1652068 g/mol
Monoisotopic Mass347.1652068 g/mol
Topological Polar Surface Area52.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity344
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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