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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
Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary locat...
Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary located in National Cangzhou Lingang Economic and Technological Development Zone,Cangzhou City,Hebei Province. Senary cover an area of 67,000 square meters, and 300 professionals work there. Senary R&D organization recognized as the Hebei Provincial Engineering Technology Center is comprised of two R & D centers in Tianjin and Cangzhou, and it employs 80 experienced scientists in total. Senary focus on the development, production and sales of advanced pharmaceutical intermediates. Especially, Senary has leading technology and manufacturing capacity for diabetes drug intermediates. All intermediates of DPP4 and SGLT2 class drugs on market have been commercialized production. Senary has 150 sets of 50 ~ 8000L reactor with annual production capacity of 1,000 tons, which can handle both low and high temperature reactions within -100 ~ 240 ℃ range, all kinds of catalytic reactions within 0 ~ 5MPa pressure, and moisture and/or oxygen sensitive reactions. Senary also has expertise in chiral synthesis with leading technologies. The advanced sewage treatment system at Senery has processing capacity of 600 tons daily. Senary has an excellent team that has rich quality management experience.We have established a set of normative and perfect quality managment system,monitoring the whole process of risk assessment,R&D,transfer from pilot scale to commercial production,manufacturing,analysis and sales service. Senary will continue to dedicate on the field of pharmaceutical intermediates to provide the best service for domestic and foreign API pharmaceutical companies with high quality and timely supply of products.
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Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary locat...
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