SER-GLU-VAL-LYS-VAL-ASP-ALA-GLU-PHE-ARG

252256-43-2

MFCD02684499

C51 H82 N14 O18

1179.29

InChI=1S/C51H82N14O18/c1-25(2)39(65-45(77)32(17-19-37(69)70)59-42(74)29(53)24-66)48(80)60-30(14-9-10-20-52)44(76)64-40(26(3)4)49(81)63-35(23-38(71)72)46(78)57-27(5)41(73)58-31(16-18-36(67)68)43(75)62-34(22-28-12-7-6-8-13-28)47(79)61-33(50(82)83)15-11-21-56-51(54)55/h6-8,12-13,25-27,29-35,39-40,66H,9-11,14-24,52-53H2,1-5H3,(H,57,78)(H,58,73)(H,59,74)(H,60,80)(H,61,79)(H,62,75)(H,63,81)(H,64,76)(H,65,77)(H,67,68)(H,69,70)(H,71,72)(H,82,83)(H4,54,55,56)/t27-,29-,30-,31-,32-,33-,34-,35-,39-,40-/m0/s1

InChIKey=XVRVLVNUXPHGIL-ZSDPNEGOSA-N

CC(C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)N

H bond donor:19

H bond acceptor:32

XLogP3:-8.0

Bulk/Fine:F

3