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CAS 1334321-39-9 manufacturers and suppliers on PharmaCompass

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  • Chemistry
BCPP000321
Also known as: 1334321-39-9, Boc-3-hydroxy-1-adamantyl-l-glycine, 361442-00-4, (2r)-2-(3-hydroxy-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid, (s)-n-boc-3-hydroxyadamantylglycine, Boc-3-hydroxy-1-adamantyl-d-glycine
Molecular Formula
C17H27NO5
Molecular Weight
325.4  g/mol
InChI Key
UKCKDSNFBFHSHC-JGCLWBMSSA-N

1 2D Structure

BCPP000321

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R)-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?/m0/s1
2.1.3 InChI Key
UKCKDSNFBFHSHC-JGCLWBMSSA-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. 1334321-39-9

2. Boc-3-hydroxy-1-adamantyl-l-glycine

3. 361442-00-4

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

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

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

7. (r)-n-boc-2-(3-hydroxyadamant-1-yl)glycine

8. Bcpp000321

9. Akos015951196

10. Bcp9000442

11. Ac-24664

12. Tricyclo[3.3.1.13,7]decane-1-acetic Acid, ?-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (?r)-

13. Boc-(r)-2-(3-hydroxy-1-adamantyl)glycine

14. A904551

15. Tricyclo[3.3.1.13,7]decane-1-acetic Acid,

16. A-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (

17. Ar)-

2.3 Create Date
2011-08-17
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
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