LMTIKWPJTDSUPT-GCJKJVERSA-N

Chemistry, 1 End Use API, 18 Related Intermediates

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1 Suppliers

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 Formula	C₂₅H₃₃NO₄
Molecular Weight	411.5 g/mol
XLogP3	5.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Exact Mass	411.24095853 g/mol
Monoisotopic Mass	411.24095853 g/mol
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	528
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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(2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-((tert- butoxycarbon...

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CAS Number

1012341-50-2

End Use API

Sacubitril Sodium

About the Company

Jiangsu Yutian Pharmaceutical Co., Ltd. is located in Dapu Pharmaceutical Zone of Lianyungang City in Jia...

Jiangsu Yutian Pharmaceutical Co., Ltd. is located in Dapu Pharmaceutical Zone of Lianyungang City in Jiangsu Province. It is a new and high-tech enterprise engaged in research and production of bulk pharmaceutical chemicals, medical high-grade intermediate and other fine chemicals. We make efforts to provide wide customers with superior quality product. Covering an area of 66400 square meters and a construction area of 37600 square meters, our company has 8 synthesis plants, 1 GMP and FDA standard cleaning shop, modern and advanced production equipment, leading grade laboratory and excellent quality control center. In addition, there is outstanding technology development, production and management talents. Due to high quality and superior service, our products have been exported to Japan, South Korea, India and Europe. We sincerely welcome wide customers to visit us and pay guidance on our work! We would like to create brilliant future hand in hand with you!

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