COCKROACH MYOACTIVE PEPTIDE I

93208-51-6

MFCD00080037

C46 H60 N12 O12

973.052

InChI=1S/C46H60N12O12/c1-23(2)38(57-40(64)28-14-15-37(62)51-28)45(69)55-32(20-36(48)61)43(67)53-30(17-24-9-4-3-5-10-24)41(65)56-33(22-59)46(70)58-16-8-13-34(58)44(68)54-31(19-35(47)60)42(66)52-29(39(49)63)18-25-21-50-27-12-7-6-11-26(25)27/h3-7,9-12,21,23,28-34,38,50,59H,8,13-20,22H2,1-2H3,(H2,47,60)(H2,48,61)(H2,49,63)(H,51,62)(H,52,66)(H,53,67)(H,54,68)(H,55,69)(H,56,65)(H,57,64)/t28-,29-,30-,31-,32-,33-,34-,38-/m0/s1

InChIKey=KPWMFAZVGQWJCD-DWIHLTNRSA-N

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)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

H bond donor:12

H bond acceptor:24

XLogP3:-3.0

Bulk/Fine:F