592543-24-3
N-[2-METHOXY-5-[[[(1E)-2-(2,4,6-TRIMETHOXYPHENYL)ETHENYL]SULFONYL]METHYL]PHENYL]-L-ALANINE
NameN-[2-METHOXY-5-[[[(1E)-2-(2,4,6-TRIMETHOXYPHENYL)ETHENYL]SULFONYL]METHYL]PHENYL]-L-ALANINE
1Identification
【Name】
N-[2-METHOXY-5-[[[(1E)-2-(2,4,6-TRIMETHOXYPHENYL)ETHENYL]SULFONYL]METHYL]PHENYL]-L-ALANINE
【CAS】
【MDL】
MFCD12032131
【English Synonyms】
【Formula】
C22 H27 N O8 S
【MolWeight】
465.52
【Inchi】
InChI=1S/C22H27NO8S/c1-14(22(24)25)23-18-10-15(6-7-19(18)29-3)13-32(26,27)9-8-17-20(30-4)11-16(28-2)12-21(17)31-5/h6-12,14,23H,13H2,1-5H3,(H,24,25)/b9-8+/t14-/m0/s1
【InChIKey】
InChIKey=KLFKGEAXNPYTKB-VFNNOXKTSA-N
【SMILES】
C[C@@H](C(=O)O)Nc1cc(ccc1OC)CS(=O)(=O)/C=C/c2c(cc(cc2OC)OC)OC
【MOL File】
N-[2-METHOXY-5-[[[(1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[2-METHOXY-5-[[[(1E)-2-(2,4,6-TRIMETHOXYPHENYL)ETHENYL]SULFONYL]METHYL]PHENYL]-L-ALANINE.cml