LEU-VALORPHIN-ARG

135861-77-7

MFCD00153563

C56 H84 N14 O13

1161.36

InChI=1S/C56H84N14O13/c1-28(2)24-36(57)47(74)67-45(30(5)6)52(79)68-44(29(3)4)51(78)66-41(25-32-16-18-34(72)19-17-32)54(81)70-23-11-15-42(70)50(77)65-40(26-33-27-62-37-13-9-8-12-35(33)37)49(76)69-46(31(7)71)53(80)63-38(20-21-43(58)73)48(75)64-39(55(82)83)14-10-22-61-56(59)60/h8-9,12-13,16-19,27-31,36,38-42,44-46,62,71-72H,10-11,14-15,20-26,57H2,1-7H3,(H2,58,73)(H,63,80)(H,64,75)(H,65,77)(H,66,78)(H,67,74)(H,68,79)(H,69,76)(H,82,83)(H4,59,60,61)/t31-,36+,38+,39+,40+,41+,42+,44+,45+,46+/m1/s1

InChIKey=TYDMAYCCXBUMFX-ZAIVSCQOSA-N

CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N

pro_donors:16

pro_acceptors:27

XLogP3:-5.0

Bulk/Fine:F