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Synopsis

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Chemistry

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Also known as: Alz-801, 1034190-08-3, Blu8499, Nrm8499, Blu-8499, Nrm-8499

Molecular Formula

C₈H₁₈N₂O₄S

Molecular Weight

238.31 g/mol

InChI Key

NRZRFNYKMSAZBI-ZETCQYMHSA-N

FDA UNII

GHG2B47067

1 2D Structure

Valiltramiprosate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[[(2S)-2-amino-3-methylbutanoyl]amino]propane-1-sulfonic acid

2.1.2 InChI

InChI=1S/C8H18N2O4S/c1-6(2)7(9)8(11)10-4-3-5-15(12,13)14/h6-7H,3-5,9H2,1-2H3,(H,10,11)(H,12,13,14)/t7-/m0/s1

2.1.3 InChI Key

NRZRFNYKMSAZBI-ZETCQYMHSA-N

2.1.4 Canonical SMILES

CC(C)C(C(=O)NCCCS(=O)(=O)O)N

2.1.5 Isomeric SMILES

CC(C)[C@@H](C(=O)NCCCS(=O)(=O)O)N

2.2 Other Identifiers

2.2.1 UNII

GHG2B47067

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-propanesulfonic Acid, 3-((2-amino-3-methyl-1-oxobutyl)amino)-

2. 3-(l-valyl) Amino-1-propanesulfonic Acid

3. 3-(valylamino)-1-propanesulfonic Acid

4. Alz-801

2.3.2 Depositor-Supplied Synonyms

1. Alz-801

2. 1034190-08-3

3. Blu8499

4. Nrm8499

5. Blu-8499

6. Nrm-8499

7. (s)-3-(2-amino-3-methylbutanamido)propane-1-sulfonic Acid

8. Valiltramiprosate [usan]

9. Ghg2b47067

10. 3-[(2s)-2-amino-3-methylbutanamido]propane-1-sulfonic Acid

11. Valiltramiprosate

12. Unii-ghg2b47067

13. Valiltramiprosate [inn]

14. Chembl4650301

15. Schembl13944044

16. Who 11912

17. 3-(valylamino)-1-propanesulfonic Acid

18. Hy-117259

19. Cs-0064594

20. 1-propanesulfonic Acid, 3-((2-amino-3-methyl-1-oxobutyl)amino)-

21. 3-((2s)-2-amino-3-methylbutamido)propane-1-sulfonic Acid

22. 3-[[(2s)-2-amino-3-methylbutanoyl]amino]propane-1-sulfonic Acid

2.4 Create Date

2008-10-27

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₈N₂O₄S
Molecular Weight	238.31 g/mol
XLogP3	-3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	238.09872823 g/mol
Monoisotopic Mass	238.09872823 g/mol
Topological Polar Surface Area	118 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	294
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1