1.0 2010-04-08 22:12:23 UTC 2015-07-20 23:29:01 UTC FDB016344 Alitame Sweetening agent. Intensely sweet, approx. 2000 x sucrose. Use currently (1999) permitted in Australia, New Zealand, Indonesia and China Alitame is an artificial sweetener developed by Pfizer in the early 1980s and currently marketed in some countries under the brand name Aclame. Like aspartame, alitame is an aspartic acid-containing dipeptide. Most dipeptides are not sweet, but the unexpected discovery of aspartame in 1965 led to a search for similar compounds that shared its sweetness. Alitame is one such second-generation dipeptide sweetener. Neotame, developed by the owners of the NutraSweet brand, is another. Alitame anhydrous CP 54802 L-a-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide, 9CI C14H25N3O4S 331.431 331.156576993 3-amino-3-({1-[(2,2,4,4-tetramethylthietan-3-yl)carbamoyl]ethyl}carbamoyl)propanoic acid alitame 80863-62-3 CC(NC(=O)C(N)CC(O)=O)C(=O)NC1C(C)(C)SC1(C)C InChI=1S/C14H25N3O4S/c1-7(16-11(21)8(15)6-9(18)19)10(20)17-12-13(2,3)22-14(12,4)5/h7-8,12H,6,15H2,1-5H3,(H,16,21)(H,17,20)(H,18,19) IVBOUFAWPCPFTQ-UHFFFAOYSA-N belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Dipeptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteromonocyclic compounds Alanine and derivatives Alpha amino acid amides Amino acids Aspartic acid and derivatives Carbonyl compounds Carboxylic acids Dialkylthioethers Heterocyclic fatty acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-alpha amino acids and derivatives Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Thietanes Alanine or derivatives Aliphatic heteromonocyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Aspartic acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Dialkylthioether Fatty acid Fatty acyl Fatty amide Heterocyclic fatty acid Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-amine N-substituted-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Thietane Thioether logp 0.24 ALOGPS logs -3.27 ALOGPS solubility 1.79e-01 g/l ALOGPS logp -2.9 ChemAxon pka_strongest_acidic 3.44 ChemAxon pka_strongest_basic 8.23 ChemAxon iupac 3-amino-3-({1-[(2,2,4,4-tetramethylthietan-3-yl)carbamoyl]ethyl}carbamoyl)propanoic acid ChemAxon average_mass 331.431 ChemAxon mono_mass 331.156576993 ChemAxon smiles CC(NC(=O)C(N)CC(O)=O)C(=O)NC1C(C)(C)SC1(C)C ChemAxon formula C14H25N3O4S ChemAxon inchi InChI=1S/C14H25N3O4S/c1-7(16-11(21)8(15)6-9(18)19)10(20)17-12-13(2,3)22-14(12,4)5/h7-8,12H,6,15H2,1-5H3,(H,16,21)(H,17,20)(H,18,19) ChemAxon inchikey IVBOUFAWPCPFTQ-UHFFFAOYSA-N ChemAxon polar_surface_area 121.52 ChemAxon refractivity 83.58 ChemAxon polarizability 34.2 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14915 Specdb::CMs 45316 Specdb::CMs 150301 Specdb::NmrOneD 140030 Specdb::NmrOneD 140031 Specdb::NmrOneD 140032 Specdb::NmrOneD 140033 Specdb::NmrOneD 140034 Specdb::NmrOneD 140035 Specdb::NmrOneD 140036 Specdb::NmrOneD 140037 Specdb::NmrOneD 140038 Specdb::NmrOneD 140039 Specdb::NmrOneD 140040 Specdb::NmrOneD 140041 Specdb::NmrOneD 140042 Specdb::NmrOneD 140043 Specdb::NmrOneD 140044 Specdb::NmrOneD 140045 Specdb::NmrOneD 140046 Specdb::NmrOneD 140047 Specdb::NmrOneD 140048 Specdb::NmrOneD 140049 Specdb::MsMs 53151 Specdb::MsMs 53152 Specdb::MsMs 53153 Specdb::MsMs 138834 Specdb::MsMs 138835 Specdb::MsMs 138836 Specdb::MsMs 2399856 Specdb::MsMs 2399857 Specdb::MsMs 2399858 Specdb::MsMs 2538404 Specdb::MsMs 2538405 Specdb::MsMs 2538406 HMDB37324 #<Reference:0x000055ce316104b8> odorless