SAR-VAL-TYR-ILE-HIS-PRO-ILE ACETATE SALT

116331-58-9

MFCD00274388

C40 H61 N9 O9 . C2 H4 O2

872.028

InChI=1S/C40H61N9O9.C2H4O2/c1-8-23(5)33(47-35(52)28(17-25-12-14-27(50)15-13-25)44-37(54)32(22(3)4)46-31(51)20-41-7)38(55)45-29(18-26-19-42-21-43-26)39(56)49-16-10-11-30(49)36(53)48-34(40(57)58)24(6)9-2;1-2(3)4/h12-15,19,21-24,28-30,32-34,41,50H,8-11,16-18,20H2,1-7H3,(H,42,43)(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)(H,57,58);1H3,(H,3,4)/t23-,24-,28-,29-,30-,32-,33-,34-;/m0./s1

InChIKey=BJNWMZMZZGNMGF-MLLLTCPESA-N

CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)[C@H](C(C)C)NC(=O)CNC.CC(=O)O

H bond donor:9

H bond acceptor:18

XLogP3:1.0

Bulk/Fine:F