ASN-GLY-ALA-LYS-ALA-LEU-MET-GLY-GLY-HIS-GLY-ALA-THR-LYS-VAL-MET-VAL-GLY-ALA-ALA-ALA

150469-23-1

MFCD03093449

C80 H138 N26 O24 S2

1912.26

InChI=1S/C80H138N26O24S2/c1-38(2)28-54(103-68(117)45(11)96-73(122)50(20-16-18-24-81)99-67(116)42(8)93-58(110)34-87-70(119)49(83)30-56(84)108)76(125)100-52(22-26-131-14)71(120)88-32-57(109)86-33-61(113)98-55(29-48-31-85-37-91-48)72(121)89-35-59(111)94-43(9)69(118)106-64(47(13)107)79(128)101-51(21-17-19-25-82)74(123)105-63(40(5)6)78(127)102-53(23-27-132-15)75(124)104-62(39(3)4)77(126)90-36-60(112)92-41(7)65(114)95-44(10)66(115)97-46(12)80(129)130/h31,37-47,49-55,62-64,107H,16-30,32-36,81-83H2,1-15H3,(H2,84,108)(H,85,91)(H,86,109)(H,87,119)(H,88,120)(H,89,121)(H,90,126)(H,92,112)(H,93,110)(H,94,111)(H,95,114)(H,96,122)(H,97,115)(H,98,113)(H,99,116)(H,100,125)(H,101,128)(H,102,127)(H,103,117)(H,104,124)(H,105,123)(H,106,118)(H,129,130)/t41-,42-,43-,44-,45-,46-,47+,49-,50-,51-,52-,53-,54-,55-,62-,63-,64-/m0/s1

InChIKey=NTFZQRPSWWDRPI-MBNDGZRNSA-N

CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(=O)N)N

H bond donor:27

H bond acceptor:50

XLogP3:-9.0

Bulk/Fine:F

3