TYR-GLY-CYS-LYS-ASN-PHE-PHE-TRP-LYS-THR-PHE-THR-SER-CYS

59481-23-1

MFCD00076768

C82 H108 N18 O20 S2

1729.99

InChI=1S/C82H108N18O20S2/c1-45(102)68-80(117)96-60(37-49-22-10-5-11-23-49)77(114)100-69(46(2)103)81(118)97-63(42-101)78(115)98-65(82(119)120)44-122-121-43-64(89-67(106)41-88-70(107)54(85)34-50-28-30-52(104)31-29-50)79(116)91-56(26-14-16-32-83)71(108)95-62(39-66(86)105)76(113)93-58(35-47-18-6-3-7-19-47)73(110)92-59(36-48-20-8-4-9-21-48)74(111)94-61(38-51-40-87-55-25-13-12-24-53(51)55)75(112)90-57(72(109)99-68)27-15-17-33-84/h3-13,18-25,28-31,40,45-46,54,56-65,68-69,87,101-104H,14-17,26-27,32-39,41-44,83-85H2,1-2H3,(H2,86,105)(H,88,107)(H,89,106)(H,90,112)(H,91,116)(H,92,110)(H,93,113)(H,94,111)(H,95,108)(H,96,117)(H,97,118)(H,98,115)(H,99,109)(H,100,114)(H,119,120)/t45-,46-,54+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,68+,69+/m1/s1

InChIKey=HTAVEOUQMYLKNB-RQJOHNKKSA-N

C[C@H]([C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCCN)Cc2c[nH]c3c2cccc3)Cc4ccccc4)Cc5ccccc5)CC(=O)N)CCCCN)NC(=O)CNC(=O)[C@H](Cc6ccc(cc6)O)N)C(=O)O)CO)[C@@H](C)O)Cc7ccccc7)O

H bond donor:23

H bond acceptor:38

XLogP3:-5.0

Bulk/Fine:F

3