1213468-26-8
BOC-D-TYR(BZL, 3-NO2)-OH
NameBOC-D-TYR(BZL, 3-NO2)-OH
1Identification
【Name】
BOC-D-TYR(BZL, 3-NO2)-OH
【CAS】
【MDL】
MFCD02684458
【English Synonyms】
【Formula】
C21 H24 N2 O7
【MolWeight】
416.428
【Inchi】
InChI=1S/C21H24N2O7/c1-21(2,3)30-20(26)22-16(19(24)25)11-15-9-10-18(17(12-15)23(27)28)29-13-14-7-5-4-6-8-14/h4-10,12,16H,11,13H2,1-3H3,(H,22,26)(H,24,25)/t16-/m1/s1
【InChIKey】
InChIKey=DPRXADRSEXVFAO-MRXNPFEDSA-N
【SMILES】
CC(C)(C)OC(=O)N[C@H](Cc1ccc(c(c1)[N+](=O)[O-])OCc2ccccc2)C(=O)O
【MOL File】
BOC-D-TYR(BZL, 3-NO2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
BOC-D-TYR(BZL, 3-NO2)-OH.cml