IUPAC Name :(3S)-3-amino-4-oxo-4-[[(2R)-2-[(2,2,4,4-tetramethylthietan-3-yl)amino]propanoyl]amino]butanoic acid pentahydrate
InChI :InChI=1/2C14H25N3O4S.5H2O/c2*1-7(16-12-13(2,3)22-14(12,4)5)10(20)17-11(21)8(15)6-9(18)19;;;;;/h2*7-8,12,16H,6,15H2,1-5H3,(H,18,19)(H,17,20,21);5*1H2/t2*7-,8+;;;;;/m11...../s1
Std.InChI: InChI=1S/2C14H25N3O4S.5H2O/c2*1-7(16-12-13(2,3)22-14(12,4)5)10(20)17-11(21)8(15)6-9(18)19;;;;;/h2*7-8,12,16H,6,15H2,1-5H3,(H,18,19)(H,17,20,21);5*1H2/t2*7-,8+;;;;;/m11...../s1
InChIKey :CAGRXIUPBXSNBW-FLBSXDLDBU
Std.InChIKey: CAGRXIUPBXSNBW-FLBSXDLDSA-N
SMILES :C[C@H](C(=O)NC(=O)[C@H](CC(=O)O)N)NC1C(SC1(C)C)(C)C.C[C@H](C(=O)NC(=O)[C@H](CC(=O)O)N)NC1C(SC1(C)C)(C)C.O.O.O.O.O