Alitame (Parent)

HCID 64763

Basic information

CAS
80863-62-3
Standard SMILES
C[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)NC1C(C)(C)SC1(C)C
InChIKey
IVBOUFAWPCPFTQ-SFYZADRCSA-N
Molecular formula
C14H25N3O4S
Average molar mass
331.43 g/mol
Monoisotopic mass
331.15657746

Names & identifiers

Preferred name
Alitame (Parent)
IUPAC
(3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-[(2,2,4,4-tetramethylthietan-3-yl)amino]propan-2-yl]amino]butanoic acid
English name
Alitame
Molecular formula
C14H25N3O4S
Molecular weight
331.43

Names & synonyms

DTXSID3043780Alitame (Parent)RefChem:318039DTXCID102378080863-62-3(S)-3-Amino-4-oxo-4-(((R)-1-oxo-1-((2,2,4,4-tetramethylthietan-3-yl)amino)propan-2-yl)amino)butanoic acidAlitame anhydrousC14H25N3O4S(S)-3-((R)-1-(2,2,4,4-Tetramethylthietan-3-ylcarbamoyl)ethylcarbamoyl)-3-aminopropanoic acid(3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-[(2,2,4,4-tetramethylthietan-3-yl)amino]propan-2-yl]amino]butanoic acidMFCD00868124E-956(alitame anhydrous)
Show more names
D-Alaninamide, L-α-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-(S)-3-Amino-4-oxo-4-(((R)-1-oxo-1-((2,2,4,4-tetramethylthietan-3-yl)amino)propan-2-yl)amino)butanAlitianaltanleAlitameAclame anhydrousAlitame in WaterAlitame USP/EP/BP
L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamidePCE8DAE750Ins-956(alitame anhydrous)Ins no.956(alitame anhydrous)D-Alaninamide, L-a-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-CP 54802UNII-PCE8DAE750CP54802

Database identifiers

CAS
80863-62-3
PubChem CID
64763
DTXSID
DTXSID3043780
ChEBI
CHEBI:184021
UNII
PCE8DAE750
Nikkaji
J997.311G

Properties

Computed structural properties

XLogP
-2.6
Topological polar surface area
147 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
22

Physicochemical properties

Melting point
136 · 136-147°
alpha
25 · D25 +40 to +50° (c = 1 in water)
Boiling point
608.5 · 608.5±55.0 °C(Predicted)
Density
1.25 · 1.25±0.1 g/cm3(Predicted)
solubility
Methanol (Slightly)
form
Solid

Safety & regulation

Safety data

hs_code
29400090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P301+P312+P330

Chemistry & industry

Applications · 4 items

HistoryAlitame, L-α-aspartyl-D-alanine N-(2,2,4,4-tetra methylthietan-3-yl)amide (5), was developed by Pfizer, but is owned by Danisco now. In 1986, Pfizer filed a food additive petition with the FDA. As of 2006, it was still pending. Alitame was approved for use as a sweetener by Australia in 1993, by China, Mexico, and New Zealand in 1994, by Indonesia in 1995, and by Colombia in 1996.

UsesNon-nutritive sweetener.

UsesAlitame [L-a-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide] is a sweetener based on an amino acid. It is a very intense sweetener, possessing a sweetening power of about 2000 times that of sucrose. It also exhibits a clean sweet taste similar to sucrose. Although it is metabolized, so little is needed that its caloric contribution is insignificant. Alitame is prepared from the amino acids, L-aspartic acid, D-alamine, and a novel amine.

UsesAlitame is a dipeptide amide derivative of aspartic acid used as an artificial sweetener. Alitame is about ten times sweeter than Aspartame (A790015) with a half life about twice as long.

Upstream & downstream products

Upstream raw materials

Suppliers100 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
广东恒添生物科技有限公司15603008518 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
河北九星化工产品有限公司13503103636 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

Additional notes

DefinitionChEBI: Alitame is a dipeptide.

Related reactions

1 records

Compound notes

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CAS 80863-62-3 Alitame (Parent) (HCID 64763)|Huagongshe