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CAS 156474-22-5 manufacturers and suppliers on PharmaCompass

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CAS 156474-22-5
Also known as: 156474-22-5, Threo-n-boc-d-phenylalanine epoxide, 98818-35-0, (2s,3r)-3-(tert-butoxycarbonylamino)-1,2-epoxy-4-phenylbutane, Tert-butyl n-[(1r)-1-[(2s)-oxiran-2-yl]-2-phenylethyl]carbamate, Mfcd08061626
Molecular Formula
C15H21NO3
Molecular Weight
263.33  g/mol
InChI Key
NVPOUMXZERMIJK-CHWSQXEVSA-N

1 2D Structure

CAS 156474-22-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl N-[(1R)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate
2.1.2 InChI
InChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-12(13-10-18-13)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,16,17)/t12-,13-/m1/s1
2.1.3 InChI Key
NVPOUMXZERMIJK-CHWSQXEVSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C2CO2
2.1.5 Isomeric SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)[C@H]2CO2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 156474-22-5

2. Threo-n-boc-d-phenylalanine Epoxide

3. 98818-35-0

4. (2s,3r)-3-(tert-butoxycarbonylamino)-1,2-epoxy-4-phenylbutane

5. Tert-butyl N-[(1r)-1-[(2s)-oxiran-2-yl]-2-phenylethyl]carbamate

6. Mfcd08061626

7. Rel-tert-butyl ((r)-1-((s)-oxiran-2-yl)-2-phenylethyl)carbamate

8. Schembl5865405

9. Zinc4977933

10. Thred-n-boc-d-phenylalanine Epoxide

11. Akos016843910

12. Bs-15259

13. Cs-0154589

14. F20656

15. (2s,3r)-1,2-epoxy-(boc Amino)-4-phenylbutane

16. (2s,3r)-1,2-epoxy-3-(boc-amino)-4-phenylbutane

17. Tert-butyl (r)-1-((s)-oxiran-2-yl)-2-phenylethylcarbamate

18. (2s,3r)-3-[(t-butoxycarbonyl)amino]-4-phenyl-1,2-epoxybutane

19. Rel-tert-butyl((r)-1-((s)-oxiran-2-yl)-2-phenylethyl)carbamate

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 263.33 g/mol
Molecular Formula C15H21NO3
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass263.15214353 g/mol
Monoisotopic Mass263.15214353 g/mol
Topological Polar Surface Area50.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity305
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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