191226-98-9

Chemistry, 4 End Use API, 35 Related Intermediates

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Also known as: 191226-98-9, Tert-butyl ((2s,3r)-3-hydroxy-4-(n-isobutyl-4-nitrophenylsulfonamido)-1-phenylbutan-2-yl)carbamate, Tert-butyl n-[(2s,3r)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate, [(1s,2r)-1-benzyl-2-hydroxy-3-[isobutyl[(4-nitro-phenyl)sulfonyl)]amino]propyl]-carbamic acid tert-butyl ester, [(1s,2r)-1-benzyl-2-hydroxy-3-[isobutyl[(4-nitro-phenyl)sulfonyl)]amino]propyl]-carbamic acid tert-b, Tert-butyl n-[(1s,2r)-1-benzyl-2-hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]propyl]carbamate

Molecular Formula

C₂₅H₃₅N₃O₇S

Molecular Weight

521.6 g/mol

InChI Key

CQGKCZKCWMWXQP-XZOQPEGZSA-N

1 2D Structure

191226-98-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate

2.1.2 InChI

InChI=1S/C25H35N3O7S/c1-18(2)16-27(36(33,34)21-13-11-20(12-14-21)28(31)32)17-23(29)22(15-19-9-7-6-8-10-19)26-24(30)35-25(3,4)5/h6-14,18,22-23,29H,15-17H2,1-5H3,(H,26,30)/t22-,23+/m0/s1

2.1.3 InChI Key

CQGKCZKCWMWXQP-XZOQPEGZSA-N

2.1.4 Canonical SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

2.1.5 Isomeric SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 191226-98-9

2. Tert-butyl ((2s,3r)-3-hydroxy-4-(n-isobutyl-4-nitrophenylsulfonamido)-1-phenylbutan-2-yl)carbamate

3. Tert-butyl N-[(2s,3r)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate

4. [(1s,2r)-1-benzyl-2-hydroxy-3-[isobutyl[(4-nitro-phenyl)sulfonyl)]amino]propyl]-carbamic Acid Tert-butyl Ester

5. [(1s,2r)-1-benzyl-2-hydroxy-3-[isobutyl[(4-nitro-phenyl)sulfonyl)]amino]propyl]-carbamic Acid Tert-b

6. Tert-butyl N-[(1s,2r)-1-benzyl-2-hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]propyl]carbamate

7. Tert-butyl (2s,3r)-3-hydroxy-4-(n-isobutyl-4-nitrophenylsulfonamido)-1-phenylbutan-2-ylcarbamate

8. Tert-butyl ((2s,3r)-3-hydroxy-4-(n-isobutyl-4-nitro-phenylsulfonamido)-1-phenylbutan-2-yl)carbamate

9. Schembl1104908

10. Dtxsid80437719

11. Zinc22050767

12. Akos015904187

13. Am84661

14. Ac-27022

15. Tert-butyl ((2s,3r)-3-hydroxy-4-((n-isobutyl-4-nitrophenyl)sulfonamido)-1-phenylbutan-2-yl)carbamate

16. Tert-butyl {(2s,3r)-3-hydroxy-4-[(2-methylpropyl)(4-nitrobenzene-1-sulfonyl)amino]-1-phenylbutan-2-yl}carbamate

17. 226b989

18. A880383

19. J-012358

20. J-524380

21. ((1s,2r)-1-benzyl-2-hydroxy-3-[isobutyl-(4-nitro-benzenesul Fonyl)-amino]-propyl)-carbamic Acid, Tert-butyl Ester

22. (1s,2r)-{1-benzyl-2-hydroxy-3-[isobutyl-(4-nitro-benzenesulfonyl)-amino]-propyl}-carbamic Acid Tert-butyl Ester

23. (1s,2r)-{1-benzyl-2-hydroxy-3-[isobutyl-(4-nitrobenzene Sulfonyl)-amino]propyl}-carbamic Acid Tert-butyl Ester

24. (1s,2r)-tert-butyl N-[1-benzyl-2-hydroxy-3-(n-isobutyl- 4-nitrobenzenesulphonamido)propyl]carbamate

25. [(1s,2r)-3-[[(4-nitrophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic Acid Tert-butylester

26. N-isobutyl-n-[(2r,3s)-2-hydroxy-3-(tert-butoxycarbonylamino)-4-phenylbutyl]-4-nitrobenzenesulfonamide

27. T-butyl((1s,2r)-1-benzyl-2-hydroxy-3-[isobutyl[(-4-nitrophenyl)sulfonyl]-amino]propyl]carbamate

28. Tert-butyl((2s,3r)-3-hydroxy-4-(n-isobutyl-4-nitrophenylsulfonamido)-1-phenylbutan-2-yl)carbamate

29. Tert-butyl(2s,3r)-3-hydroxy-4-(n-isobutyl-4-nitrophenylsulfonamido)-1-phenylbutan-2-ylcarbamate

30. Tert-butyl[(1s,2r)-1-benzyl-2-hydroxy-3-[isobutyl[(4-nitrophenyl)sulfonyl]amino]propyl]carbamate

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₃₅N₃O₇S
Molecular Weight	521.6 g/mol
XLogP3	4.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	12
Exact Mass	521.21957164 g/mol
Monoisotopic Mass	521.21957164 g/mol
Topological Polar Surface Area	150 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	803
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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Amara Labs

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CAS Number

191226-98-9

Intermediate Name

TERT-BUTYL [(1S,2R)-1-BENZYL-2-HYDR...

About the Company

Amara Labs Pvt Ltd is a WHO-GMP certified manufacturing company wholly owned by a team of technocrats wit...

Amara Labs Pvt Ltd is a WHO-GMP certified manufacturing company wholly owned by a team of technocrats with working experience of more than 20 years in Multi-Nationals Companies like Mylan and Cipla. We offer Active Pharmaceutical Ingredients, custom synthesis for Domestic, Intermediates for regulated markets with a key focus on new molecules. The manufacturing facility for production is equipped with an ability of producing Active Pharmaceutical Ingredients(API’s) in cGMP standards, with additional facilities of Pilot Plant with a full suite for scaling up and validation of new molecules

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CAS Number

191226-98-9

Intermediate Name

Tert-butyl [(1S,2R)-1-benzyl-2-hydr...

About the Company

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners

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ZCL CHEMICALS LTD

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CAS Number

191226-98-9

Intermediate Name

Carbamic acid, N-[(1S,2R)-2-hydroxy...

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ZCL Chemicals Ltd is an 100% Export Oriented Unit (EOU) that combines the power of science & technology. ...

ZCL Chemicals Ltd is an 100% Export Oriented Unit (EOU) that combines the power of science & technology. Established in 1991, the company head quarter is in Mumbai .The R&D Center and cGMP-manufacturing facility is in the Industrial heart of Ankleshwar city in Gujarat, 300 k.m. North of Mumbai, well connected by Road, Rail and Air enabling swift cargo movement to the nearest major sea/airport being Mumbai. The Company delivers a broad range of advance fine chemical intermediates and active.

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