1009595-18-9
N-(2,3,5,6-TETRAMETHYLPHENYLSULFONYL)-L-VALINE MONOHYDRATE
NameN-(2,3,5,6-TETRAMETHYLPHENYLSULFONYL)-L-VALINE MONOHYDRATE
FormulaC15 H23 N O4 S . H2 O
1Identification
【Name】
N-(2,3,5,6-TETRAMETHYLPHENYLSULFONYL)-L-VALINE MONOHYDRATE
【CAS】
【MDL】
MFCD18089851
【English Synonyms】
【Formula】
C15 H23 N O4 S . H2 O
【MolWeight】
331.431
【Inchi】
InChI=1S/C15H23NO4S.H2O/c1-8(2)13(15(17)18)16-21(19,20)14-11(5)9(3)7-10(4)12(14)6;/h7-8,13,16H,1-6H3,(H,17,18);1H2
【InChIKey】
InChIKey=YHBKGZYNPGILOD-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(c(c1C)S(=O)(=O)NC(C(C)C)C(=O)O)C)C.O
【MOL File】
N-(2,3,5,6-TETRAMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(2,3,5,6-TETRAMETHYLPHENYLSULFONYL)-L-VALINE MONOHYDRATE.cml