Description
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;pentahydrate
InChI: InChI=1S/2C14H25N3O4S.5H2O/c2*1-7(16-11(21)8(15)6-9(18)19)10(20)17-12-13(2,3)22-14(12,4)5;;;;;/h2*7-8,12H,6,15H2,1-5H3,(H,16,21)(H,17,20)(H,18,19);5*1H2/t2*7-,8+;;;;;/m11…../s1
InChIKey: NUFKRGBSZPCGQB-FLBSXDLDSA-N
Canonical SMILES: CC(C(=O)NC1C(SC1(C)C)(C)C)NC(=O)C(CC(=O)O)N.CC(C(=O)NC1C(SC1(C)C)(C)C)NC(=O)C(CC(=O)O)N.O.O.O.O.O
Isomeric SMILES: C[C@H](C(=O)NC1C(SC1(C)C)(C)C)NC(=O)[C@H](CC(=O)O)N.C[C@H](C(=O)NC1C(SC1(C)C)(C)C)NC(=O)[C@H](CC(=O)O)N.O.O.O.O.O
Synonyms: Alitame hydrate; Alitame; 99016-42-9; Alitame [USAN]; 6KI9M51JOG; Aclame; CP-54,802; Ins-956(alitame); …
Botanical Source: