WF-11899A

160335-87-5

MFCD01756735

C51 H82 N8 O21 S

1175.31

InChI=1S/C51H82N8O21S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-37(66)53-30-22-34(64)47(72)57-49(74)41-42(67)26(2)24-59(41)51(76)39(33(63)23-36(52)65)55-48(73)40(44(69)43(68)28-18-19-32(62)35(20-28)80-81(77,78)79)56-46(71)31-21-29(61)25-58(31)50(75)38(27(3)60)54-45(30)70/h18-20,26-27,29-31,33-34,38-44,47,60-64,67-69,72H,4-17,21-25H2,1-3H3,(H2,52,65)(H,53,66)(H,54,70)(H,55,73)(H,56,71)(H,57,74)(H,77,78,79)/t26?,27-,29?,30+,31+,33?,34?,38+,39+,40+,41+,42?,43?,44+,47?/m1/s1

InChIKey=KAPLTEIQCKDUAT-XEQFMZNRSA-N

CCCCCCCCCCCCCCCC(=O)N[C@H]1CC(C(NC(=O)[C@@H]2C(C(CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3CC(CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H](C(c4ccc(c(c4)OS(=O)(=O)O)O)O)O)C(CC(=O)N)O)C)O)O)O

pro_donors:16

pro_acceptors:29

XLogP3:0.0

Bulk/Fine:F