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CAS 149709-60-4 manufacturers and suppliers on PharmaCompass

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LMTIKWPJTDSUPT-GCJKJVERSA-N
Also known as: 149709-60-4, Ethyl (2r,4s)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate, [1,1'-biphenyl]-4-pentanoic acid, gamma-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-methyl-, ethyl ester, (alphar,gammas)-, Schembl597498, Ambz0402, Dtxsid901121953
Molecular Formula
C25H33NO4
Molecular Weight
411.5  g/mol
InChI Key
LMTIKWPJTDSUPT-GCJKJVERSA-N

1 2D Structure

LMTIKWPJTDSUPT-GCJKJVERSA-N

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl (2R,4S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate
2.1.2 InChI
InChI=1S/C25H33NO4/c1-6-29-23(27)18(2)16-22(26-24(28)30-25(3,4)5)17-19-12-14-21(15-13-19)20-10-8-7-9-11-20/h7-15,18,22H,6,16-17H2,1-5H3,(H,26,28)/t18-,22+/m1/s1
2.1.3 InChI Key
LMTIKWPJTDSUPT-GCJKJVERSA-N
2.1.4 Canonical SMILES
CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)OC(C)(C)C
2.1.5 Isomeric SMILES
CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)OC(C)(C)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 149709-60-4

2. Ethyl (2r,4s)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate

3. [1,1'-biphenyl]-4-pentanoic Acid, Gamma-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-methyl-, Ethyl Ester, (alphar,gammas)-

4. Schembl597498

5. Ambz0402

6. Dtxsid901121953

7. Zinc81200505

8. Am85598

9. Ac-28989

10. F19420

11. Ethyl (alphar,gammas)-gamma-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-methyl[1,1'-biphenyl]-4-pentanoate

2.3 Create Date
2012-08-19
3 Chemical and Physical Properties
Molecular Weight 411.5 g/mol
Molecular Formula C25H33NO4
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass411.24095853 g/mol
Monoisotopic Mass411.24095853 g/mol
Topological Polar Surface Area64.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity528
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Sacubitril Sodium
Bulat Pharmaceutical is a fast growing pharmaceutical company, founded in the year 2017, Bulat Pharmaceut...
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Sacubitril Sodium
Bulat Pharmaceutical is a fast growing pharmaceutical company, founded in the year 2017, Bulat Pharmaceut...
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