Pmc Isochem

CAS 1335316-40-9

Chemistry, 3 End Use API, 12 Related Intermediates

Manufacturers/Suppliers

4 Suppliers

4 Suppliers

Also known as: 1335316-40-9, (2s,5s)-1-((methoxycarbonyl)-l-valyl)-5-methylpyrrolidine-2-carboxylic acid, (2s,5s)-1-[(2s)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid, (2s,5s)-1-((s)-2-((methoxycarbonyl)amino)-3-methylbutanoyl)-5-methylpyrrolidine-2-carboxylic acid, N-[2-(s)-[(methoxycarbonyl)amino]-3-methylbutyryl]-(5s)-5-methyl-l-proline, (2s,5s)-1-[(2s)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid

Molecular Formula

C₁₃H₂₂N₂O₅

Molecular Weight

286.32 g/mol

InChI Key

PNAXKGVRCAXIJK-GUBZILKMSA-N

1 2D Structure

CAS 1335316-40-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid

2.1.2 InChI

InChI=1S/C13H22N2O5/c1-7(2)10(14-13(19)20-4)11(16)15-8(3)5-6-9(15)12(17)18/h7-10H,5-6H2,1-4H3,(H,14,19)(H,17,18)/t8-,9-,10-/m0/s1

2.1.3 InChI Key

PNAXKGVRCAXIJK-GUBZILKMSA-N

2.1.4 Canonical SMILES

CC1CCC(N1C(=O)C(C(C)C)NC(=O)OC)C(=O)O

2.1.5 Isomeric SMILES

C[C@H]1CC[C@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1335316-40-9

2. (2s,5s)-1-((methoxycarbonyl)-l-valyl)-5-methylpyrrolidine-2-carboxylic Acid

3. (2s,5s)-1-[(2s)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic Acid

4. (2s,5s)-1-((s)-2-((methoxycarbonyl)amino)-3-methylbutanoyl)-5-methylpyrrolidine-2-carboxylic Acid

5. N-[2-(s)-[(methoxycarbonyl)amino]-3-methylbutyryl]-(5s)-5-methyl-l-proline

6. (2s,5s)-1-[(2s)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic Acid

7. Schembl2448949

8. Amy4340

9. Dtxsid201204584

10. Mfcd29917577

11. Akos028110146

12. Zinc140157652

13. (2s,5s)-1-((s)-2-(methoxycarbonylamino)-3-methylbutanoyl)-5-methylpyrrolidine-2-carboxylic Acid

14. Ac-28747

15. As-81066

16. Cs-0170788

17. I11822

18. A888053

19. A1-03610

20. L-proline, N-(methoxycarbonyl)-l-valyl-5-methyl-, (5s)-

21. (2s,5s)-1-((methoxycarbonyl)-l-valyl)-5-methylpyrrolidine-2-carboxylicacid

22. (2s,55)-1-((s)-2-(methoxycarbonylamino)-3-methylbutanoyl)-5-methylpyrrolidine-2-carboxylic Acid

23. (2s,5s)-1-((s)-2-((methoxycarbonyl)amino)-3-methylbutanoyl)-5-methylpyrrolidine-2-carboxylicacid

24. (2s,5s)-1-[(2s)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-5-methyl-pyrrolidine-2-carboxylic Acid

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₂₂N₂O₅
Molecular Weight	286.32 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	286.15287181 g/mol
Monoisotopic Mass	286.15287181 g/mol
Topological Polar Surface Area	95.9 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	396
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

List of Suppliers

Full Screen View

Reset Filter

Ask Us

PMC Isochem is your partner for smart CDMOs of Intermediates, APIs, & excipients & a catalog of Intermediates & Generic APIs.

Contact Supplier

France

Virtual Booth

Digital Content

Moc-D-phenylglycine

PDF Supplier PDF

URL Supplier Web Content

CAS Number

50890-96-5

End Use API

Velpatasvir

About the Company

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, ...

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, active pharmaceutical ingredients and functional excipients for pharmaceutical and personal care companies worldwide. Its business includes research, product and process development, pilot-scale, industrial production and regulatory approvals support. It adds value to its clients' intellectual property through constant innovation in manufacturing techniques throughout the product life cycle. PMC Isochem's facilities are located within 60 miles of Paris and are all US FDA-audited plants.