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CAS 1378388-16-9 manufacturers and suppliers on PharmaCompass

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CAS 1378388-16-9
Also known as: 1378388-16-9, (2s,4s)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid, N-tert-butoxycarbonyl-(4s)-4-methoxymethyl-l-proline, Schembl6120100, Amy4213, Dtxsid601121035
Molecular Formula
C12H21NO5
Molecular Weight
259.30  g/mol
InChI Key
OHPUCEUCBHBIAW-IUCAKERBSA-N

1 2D Structure

CAS 1378388-16-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
2.1.2 InChI
InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-8(7-17-4)5-9(13)10(14)15/h8-9H,5-7H2,1-4H3,(H,14,15)/t8-,9-/m0/s1
2.1.3 InChI Key
OHPUCEUCBHBIAW-IUCAKERBSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)N1CC(CC1C(=O)O)COC
2.1.5 Isomeric SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)O)COC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1378388-16-9

2. (2s,4s)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic Acid

3. N-tert-butoxycarbonyl-(4s)-4-methoxymethyl-l-proline

4. Schembl6120100

5. Amy4213

6. Dtxsid601121035

7. Mfcd29035280

8. Akos027250599

9. Zinc140039441

10. Hy-w022138

11. Ac-28748

12. Ds-11596

13. Cs-0040636

14. Y10154

15. A886392

16. (2s,4s)-1-(boc)-4-(methoxymethyl)pyrrolidine-2-carboxylic Acid

17. (2s,4s)-1-(ter-butoxycarbonyl)-4-(methoxymethyl)pyrrolidine-2-carboxylic Acid

18. (2s,4s)-1-(tert-butoxy Carbonyl)-4-(methoxy Methyl)pyrrolidine-2- Carboxylic Acid

19. (2s,4s)-1-(tert-butoxycarbonyl)-4-(methoxymethyl)pyrrolidine-2-carboxylicacid

20. (2s,4s)-1-(tert-butoxycarbonyl)-4-(methoxymethyl)pyrrolidine-2-carboxylic Acid;(2s,4s)-1-(tert-butoxycarbonyl)-4-(methoxymethyl)pyrrolidine-2-carboxylic Acid;(2s,4s)-4-(methoxymethyl)-1,2-pyrrolidinedicarboxylicacid1-(1,1-dimethylethyl)ester;gs-5816interm

21. 1,2-pyrrolidinedicarboxylic Acid, 4-(methoxymethyl)-, 1-(1,1-dimethylethyl) Ester, (2s,4s)-

2.3 Create Date
2012-12-01
3 Chemical and Physical Properties
Molecular Weight 259.30 g/mol
Molecular Formula C12H21NO5
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass259.14197277 g/mol
Monoisotopic Mass259.14197277 g/mol
Topological Polar Surface Area76.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity323
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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Digital Content Digital Content
URL Supplier Web Content
1377049-84-7
Velpatasvir
Cangzhou Enke Pharma Tech Co.,ltd. is located in Cangzhou City, Hebei province ,where is a famous petrole...
Cangzhou Enke Pharma Tech Co.,ltd. is located in Cangzhou City, Hebei province ,where is a famous petroleum chemical industry city in China. Enke Pharma a high-tech enterprise ,and we are dedicated to developing and manufacturing new api, intermediates and pharmaceutical fine chemicals. Enke Pharma currently employs more than 20 technical staffs, including 2 doctors and 8 masters . At the same time our company established cooperative production bases in Cangzhou city Hebei province and Fuzhou city Jiangxi province. In addition to our own growing , we ‘d like to provide all-round service to our customers , like custom development, custom production and technical consulting.
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