COCKROACH MYOACTIVE PEPTIDE II

93240-39-2

MFCD00080038

C48 H65 N11 O12

988.107

InChI=1S/C48H65N11O12/c1-24(2)19-33(54-42(65)31-16-17-38(63)52-31)44(67)57-39(25(3)60)47(70)56-34(20-27-11-6-5-7-12-27)45(68)58-40(26(4)61)48(71)59-18-10-15-36(59)46(69)55-35(22-37(49)62)43(66)53-32(41(50)64)21-28-23-51-30-14-9-8-13-29(28)30/h5-9,11-14,23-26,31-36,39-40,51,60-61H,10,15-22H2,1-4H3,(H2,49,62)(H2,50,64)(H,52,63)(H,53,66)(H,54,65)(H,55,69)(H,56,70)(H,57,67)(H,58,68)/t25-,26-,31+,32+,33+,34+,35+,36+,39+,40+/m1/s1

InChIKey=YIAYDCYMEMGKSQ-PVVNHPPMSA-N

CC(C)C[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N)NC(=O)[C@@H]5CCC(=O)N5

pro_donors:12

pro_acceptors:23

XLogP3:0.0

Bulk/Fine:F