ICI 216,140

124001-41-8

MFCD00153815

C45 H65 N13 O8

916.091

InChI=1S/C45H65N13O8/c1-23(2)14-33(41(62)46-9)56-44(65)36(17-30-20-48-22-51-30)55-39(60)26(7)53-45(66)37(24(3)4)58-40(61)27(8)52-42(63)34(15-28-18-49-32-13-11-10-12-31(28)32)57-43(64)35(54-38(59)25(5)6)16-29-19-47-21-50-29/h10-13,18-27,33-37,49H,14-17H2,1-9H3,(H,46,62)(H,47,50)(H,48,51)(H,52,63)(H,53,66)(H,54,59)(H,55,60)(H,56,65)(H,57,64)(H,58,61)/t26-,27+,33+,34+,35+,36+,37+/m1/s1

InChIKey=GRDFIRBNYAQRAT-QHOQUQLNSA-N

CC(C)C[C@@H](C(=O)NC)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)C(C)C

pro_donors:11

pro_acceptors:21

XLogP3:0.0

Bulk/Fine:F

3