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Also known as: 361442-00-4, (s)-n-boc-3-hydroxyadamantylglycine, Boc-3-hydroxy-1-adamantyl-d-glycine, (2s)-2-(3-hydroxy-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid, Mfcd16660445, (2s)-((tert-butoxycarbonyl)amino)(3-hydroxytricyclo(3.3.1.1 3,7)dec-1-yl)acetic acid
Molecular Formula
C17H27NO5
Molecular Weight
325.4  g/mol
InChI Key
UKCKDSNFBFHSHC-ZEJPWUNMSA-N

CAS 361442-00-4
1 2D Structure

CAS 361442-00-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-(3-hydroxy-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
2.1.2 InChI
InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18-12(13(19)20)16-5-10-4-11(6-16)8-17(22,7-10)9-16/h10-12,22H,4-9H2,1-3H3,(H,18,21)(H,19,20)/t10?,11?,12-,16?,17?/m1/s1
2.1.3 InChI Key
UKCKDSNFBFHSHC-ZEJPWUNMSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)NC(C(=O)O)C12CC3CC(C1)CC(C3)(C2)O
2.1.5 Isomeric SMILES
CC(C)(C)OC(=O)N[C@H](C(=O)O)C12CC3CC(C1)CC(C3)(C2)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 361442-00-4

2. (s)-n-boc-3-hydroxyadamantylglycine

3. Boc-3-hydroxy-1-adamantyl-d-glycine

4. (2s)-2-(3-hydroxy-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic Acid

5. Mfcd16660445

6. (2s)-((tert-butoxycarbonyl)amino)(3-hydroxytricyclo(3.3.1.1 3,7)dec-1-yl)acetic Acid

7. Ec 700-361-0

8. (s)-2-(boc-amino)-2-(3-hydroxy-1-adamantanyl)acetic Acid

9. Schembl2110140

10. Dtxsid60957561

11. (2s)-2-{[(tert-butoxy)carbonyl]amino}-2-(3-hydroxyadamantan-1-yl)acetic Acid

12. Bcp02491

13. (2s)-2-((tert-butoxycarbonyl)amino)-2-(3-hydroxyadamantan-1-yl)aceticacid

14. Akos016843568

15. Ds-4349

16. Ex-7794

17. Boc-3hydroxy-1admantyl-d- Glycine

18. Cs-0135316

19. Tert-butoxycarbonylamino-(3-hydroxyadamantan-1-yl)acetic Acid

20. (2s)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.13,7]decan-1-yl)ethanoic Acid

21. (s)-2-((tert-butoxycarbonyl)amino)-2-((1r,3r,5r,7s)-3-hydroxyadamantan-1-yl)acetic Acid

22. (2s)-[(tert-butoxycarbonyl)amino]-2-(3-hydroxytricyclo[3.3.1.1(3,7)]dec-1-yl)acetic Acid

23. (alphas)-alpha-[[(1,1-dimethylethoxy)carbonyl]-amino]-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetic Acid

24. (alphas)-alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetic Acid

25. (alphas)-alpha[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.1 3,7]decane-1-acetic Acid

26. (alphas)-alpha[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetic Acid

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 325.4 g/mol
Molecular Formula C17H27NO5
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass325.18892296 g/mol
Monoisotopic Mass325.18892296 g/mol
Topological Polar Surface Area95.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity510
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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Boc-3-Hydroxy-1-adamantyl-D-glycine

CAS Number : 361442-00-4

End Use API :

About the Company : 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 a...

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Boc-3-Hydroxy-1-adamantyl-D-glycine

CAS Number : 361442-00-4

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About the Company : 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,Cang...

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(alpha S)-alpha-[[(1,1-dimethylethoxy)carbonyl]ami...

CAS Number : 361442-00-4

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About the Company : Hunan Ouya Biological Company locates at Changsha National Biomedical Base; we are pharmaceutical manufacturer with integrated R&D, production and individual sale. Ouya Biological Compa...

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(S)-N-Boc-3-hydroxyadamant ylglycine

CAS Number : 361442-00-4

End Use API :

About the Company : Xi'an caijing opto-Electrical Science & Technology Co.,Ltd.(briefed as CJOE), located in Xi'an High-Tech Development Zone with a registered capital of 90 million Yuan, is a high-tech jo...

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