PEPTICINNAMIN E

147317-36-0

MFCD00917475

C49 H54 Cl N5 O10

908.444

InChI=1S/C49H54ClN5O10/c1-5-6-8-15-33-16-11-12-17-34(33)21-25-42(57)52-37(26-32-18-22-36(56)23-19-32)47(61)54(2)39(28-35-20-24-41(64-4)45(59)44(35)50)48(62)55(3)40(27-31-13-9-7-10-14-31)49(63)65-30-38-46(60)51-29-43(58)53-38/h7-25,37-40,56,59H,5-6,26-30H2,1-4H3,(H,51,60)(H,52,57)(H,53,58)/b15-8-,25-21+/t37-,38-,39?,40+/m1/s1

InChIKey=FAVCPKLIWNVVMG-WCYWKUNUSA-N

CCC/C=C\c1ccccc1/C=C/C(=O)N[C@H](Cc2ccc(cc2)O)C(=O)N(C)C(Cc3ccc(c(c3Cl)O)OC)C(=O)N(C)[C@@H](Cc4ccccc4)C(=O)OC[C@@H]5C(=O)NCC(=O)N5

H bond donor:5

H bond acceptor:15

XLogP3:6.0

Bulk/Fine:F