Alitame

CAS	80863-62-3
Structure
Synonyms	(S)-3-Amino-4-oxo-4-(((R)-1-oxo-1-((2,2,4,4-tetramethylthietan-3-yl)amino)propan-2-yl)amino)butan
IUPAC Name	(3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-[(2,2,4,4-tetramethylthietan-3-yl)amino]propan-2-yl]amino]butanoic acid
Molecular Weight	331.43
Molecular Formula	C14H25N3O4S
Canonical SMILES	C[C@H](C(=O)NC1C(SC1(C)C)(C)C)NC(=O)[C@H](CC(=O)O)N
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)/t7-,8+/m1/s1
InChI Key	IVBOUFAWPCPFTQ-SFYZADRCSA-N
Boiling Point	608.5±55.0 °C
Melting Point	136-147 °C
Purity	98%
Density	1.25±0.1 g/ml
Solubility	Soluble in water, ethanol, methanol, and glycerol
Appearance	White powder
Exact Mass	331.15657746
Isomeric SMILES	C[C@H](C(=O)NC1C(SC1(C)C)(C)C)NC(=O)[C@H](CC(=O)O)N
Monoisotopic Mass	331.15657746
Physical State	Crystalline powder
Topological Polar Surface Area	147 Ų