ALANINE, N-[2-METHOXY-5-[[[(1E)-2-(2,4,6-TRIMETHOXYPHENYL)ETHENYL]SULFONYL]METHYL]PHENYL]-, MONOSODIUM SALT

897013-49-9

MFCD12032100

C22 H26 N O8 S . Na

487.502

InChI=1S/C22H27NO8S.Na/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);/q;+1/p-1/b9-8+;/t14-;/m0./s1

InChIKey=NSMUZAQEDDQVAI-SEIANELDSA-M

C[C@@H](C(=O)[O-])Nc1cc(ccc1OC)CS(=O)(=O)/C=C/c2c(cc(cc2OC)OC)OC.[Na+]

pro_donors:1

pro_acceptors:9

XLogP3:2.0

Bulk/Fine:F