7675-56-1
N-O-NITROPHENYLSULFENYL-L-TYROSINE DI(CYCLOHEXYL)AMMONIUM SALT
NameN-O-NITROPHENYLSULFENYL-L-TYROSINE DI(CYCLOHEXYL)AMMONIUM SALT
FormulaC15 H14 N2 O5 S . C12 H23 N
1Identification
【Name】
N-O-NITROPHENYLSULFENYL-L-TYROSINE DI(CYCLOHEXYL)AMMONIUM SALT
【CAS】
【MDL】
MFCD00057752
【English Synonyms】
【Formula】
C15 H14 N2 O5 S . C12 H23 N
【MolWeight】
515.671
【Inchi】
InChI=1S/C15H14N2O5S.C12H23N/c18-11-7-5-10(6-8-11)9-12(15(19)20)16-23-14-4-2-1-3-13(14)17(21)22;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-8,12,16,18H,9H2,(H,19,20);11-13H,1-10H2/t12-;/m0./s1
【InChIKey】
InChIKey=YDRHRXMLHGDAIL-YDALLXLXSA-N
【SMILES】
c1ccc(c(c1)[N+](=O)[O-])SN[C@@H](Cc2ccc(cc2)O)C(=O)O.C1CCC(CC1)NC2CCCCC2
【MOL File】
N-O-NITROPHENYLSULFE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-O-NITROPHENYLSULFENYL-L-TYROSINE DI(CYCLOHEXYL)AMMONIUM SALT.cml