CAFFEIC ACID-PYEEIE

507471-72-9

MFCD06798314

C39 H50 N5 O19 P

923.814

InChI=1S/C39H50N5O19P/c1-3-20(2)34(38(57)43-26(39(58)59)12-17-33(52)53)44-36(55)25(11-16-32(50)51)41-35(54)24(10-15-31(48)49)42-37(56)27(18-21-4-8-23(9-5-21)63-64(60,61)62)40-30(47)14-7-22-6-13-28(45)29(46)19-22/h4-9,13-14,19-20,24-27,34,45-46H,3,10-12,15-18H2,1-2H3,(H,40,47)(H,41,54)(H,42,56)(H,43,57)(H,44,55)(H,48,49)(H,50,51)(H,52,53)(H,58,59)(H2,60,61,62)/b14-7+/t20-,24-,25-,26-,27-,34-/m0/s1

InChIKey=OLKLXQPYJYPETQ-YYGGXQSLSA-N

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(cc1)OP(=O)(O)O)NC(=O)/C=C/c2ccc(c(c2)O)O

pro_donors:13

pro_acceptors:24

XLogP3:0.0

Bulk/Fine:F