TYR-THR-ARG-LEU-ARG-LYS-GLN-MET-ALA-VAL-LYS-LYS-TYR-LEU-ASN-SER-ILE-LEU-ASN-NH2

69856-17-3

MFCD00076536

C105 H180 N32 O26 S

2338.84

InChI=1S/C105H180N32O26S/c1-14-57(10)83(102(162)133-75(47-55(6)7)96(156)128-72(85(113)145)50-80(111)143)136-100(160)78(52-138)134-99(159)77(51-81(112)144)132-97(157)74(46-54(4)5)130-98(158)76(49-61-30-34-63(141)35-31-61)131-92(152)66(24-16-19-40-107)122-90(150)67(25-17-20-41-108)126-101(161)82(56(8)9)135-86(146)58(11)120-88(148)71(38-44-164-13)125-94(154)70(36-37-79(110)142)124-89(149)65(23-15-18-39-106)121-91(151)68(26-21-42-118-104(114)115)123-95(155)73(45-53(2)3)129-93(153)69(27-22-43-119-105(116)117)127-103(163)84(59(12)139)137-87(147)64(109)48-60-28-32-62(140)33-29-60/h28-35,53-59,64-78,82-84,138-141H,14-27,36-52,106-109H2,1-13H3,(H2,110,142)(H2,111,143)(H2,112,144)(H2,113,145)(H,120,148)(H,121,151)(H,122,150)(H,123,155)(H,124,149)(H,125,154)(H,126,161)(H,127,163)(H,128,156)(H,129,153)(H,130,158)(H,131,152)(H,132,157)(H,133,162)(H,134,159)(H,135,146)(H,136,160)(H,137,147)(H4,114,115,118)(H4,116,117,119)/t57-,58-,59+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,82-,83-,84-/m0/s1

InChIKey=DRLDAGKWYRHQAE-RLUUKXCJSA-N

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(cc2)O)N

H bond donor:36

H bond acceptor:58

XLogP3:0.0

Bulk/Fine:F