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Also known as: 1247119-33-0, 1,3-thiazol-5-ylmethyl n-[(2r,5r)-5-amino-1,6-diphenylhexan-2-yl]carbamate;hydrochloride, N-[(1r,4r)-4-amino-5-phenyl-1-(phenylmethyl)pentyl]carbamic acid 5-thiazolylmethyl ester hcl, Carbamic acid, n-[(1r,4r)-4-amino-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester, hydrochloride (1:1), 5-thiazolylmethyl [(2r,5r)-5-amino-1,6-diphenyl-2-hexyl]carbamate hydrochloride, N-((1r,4r)-4-amino-5-phenyl-1-(phenylmethyl)pentyl)carbamic acid 5-thiazolylmethyl ester hydrochloride
Molecular Formula
C23H28ClN3O2S
Molecular Weight
446.0  g/mol
InChI Key
UPZSMWCRMXVNOX-MUCZFFFMSA-N

CAS 1247119-33-0
1 2D Structure

CAS 1247119-33-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-amino-1,6-diphenylhexan-2-yl]carbamate;hydrochloride
2.1.2 InChI
InChI=1S/C23H27N3O2S.ClH/c24-20(13-18-7-3-1-4-8-18)11-12-21(14-19-9-5-2-6-10-19)26-23(27)28-16-22-15-25-17-29-22;/h1-10,15,17,20-21H,11-14,16,24H2,(H,26,27);1H/t20-,21-;/m1./s1
2.1.3 InChI Key
UPZSMWCRMXVNOX-MUCZFFFMSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)CC(CCC(CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)N.Cl
2.1.5 Isomeric SMILES
C1=CC=C(C=C1)C[C@@H](CC[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)N.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1247119-33-0

2. 1,3-thiazol-5-ylmethyl N-[(2r,5r)-5-amino-1,6-diphenylhexan-2-yl]carbamate;hydrochloride

3. N-[(1r,4r)-4-amino-5-phenyl-1-(phenylmethyl)pentyl]carbamic Acid 5-thiazolylmethyl Ester Hcl

4. Carbamic Acid, N-[(1r,4r)-4-amino-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl Ester, Hydrochloride (1:1)

5. 5-thiazolylmethyl [(2r,5r)-5-amino-1,6-diphenyl-2-hexyl]carbamate Hydrochloride

6. N-((1r,4r)-4-amino-5-phenyl-1-(phenylmethyl)pentyl)carbamic Acid 5-thiazolylmethyl Ester Hydrochloride

7. N-[(1r,4r)-4-amino-5-phenyl-1-(phenylmethyl)pentyl]carbamic Acid 5-thiazolylmethyl Ester Hydrochloride

8. Ec 700-848-8

9. Thiazol-5-ylmethyl (2r,5r)-5-amino-1,6-diphenylhexan-2-ylcarbamate Hydrochloride

10. Ac9025

11. Akos027427069

12. 1,3-thiazol-5-ylmethyl N-[(2r,5r)-5-amino-1,6-diphenylhexan-2-yl]carbamate,hydrochloride

13. Ac-28963

14. Carbamic Acid, N-((1r,4r)-4-amino-5-phenyl-1-(phenylmethyl)pentyl)-, 5-thiazolylmethyl Ester, Hydrochloride

15. Db-110595

16. A854810

17. J-522732

18. Thiazol-5-ylmethyl N-((2r,5r)-5-amino-1,6-diphenylhexan-2-yl)carbamate Hydrochloride

19. (1,3-thiazol-5-yl)methyl N-[(2r,5r)-5-amino-1,6-diphenylhexan-2-yl]carbamate Hydrochloride

2.3 Create Date
2013-06-10
3 Chemical and Physical Properties
Molecular Weight 446.0 g/mol
Molecular Formula C23H28ClN3O2S
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area106
Heavy Atom Count30
Formal Charge0
Complexity467
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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