33385-74-9
2-NITROPHENYLSULFANYL-N-OMEGA-NITRO-L-ARGININE DICYCLOHEXYLAMMONIUM SALT
Name2-NITROPHENYLSULFANYL-N-OMEGA-NITRO-L-ARGININE DICYCLOHEXYLAMMONIUM SALT
FormulaC12 H23 N . C12 H16 N6 O6 S
1Identification
【Name】
2-NITROPHENYLSULFANYL-N-OMEGA-NITRO-L-ARGININE DICYCLOHEXYLAMMONIUM SALT
【CAS】
【MDL】
MFCD00237197
【English Synonyms】
【Formula】
C12 H23 N . C12 H16 N6 O6 S
【MolWeight】
553.681
【Inchi】
InChI=1S/C12H16N6O6S.C12H23N/c13-12(15-18(23)24)14-7-3-4-8(11(19)20)16-25-10-6-2-1-5-9(10)17(21)22;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-2,5-6,8,16H,3-4,7H2,(H,19,20)(H3,13,14,15);11-13H,1-10H2/t8-;/m0./s1
【InChIKey】
InChIKey=ZUSGUFBGNUIDJD-QRPNPIFTSA-N
【SMILES】
c1ccc(c(c1)[N+](=O)[O-])SN[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)O.C1CCC(CC1)NC2CCCCC2
【MOL File】
2-NITROPHENYLSULFANY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:12
XLogP3:-5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-NITROPHENYLSULFANYL-N-OMEGA-NITRO-L-ARGININE DICYCLOHEXYLAMMONIUM SALT.cml