Analyte Name

Indolicidin TFA Salt

Molecular Formula

C100H132N26O13 • x(C2HF3O2)

Molecular Weight

1906.2811402

SMILES

N=C(N)NCCC[C@@H](C(N)=O)NC([C@H](CCCNC(N)=N)NC([C@H](CC1=CNC2=CC=CC=C12)NC([C@H]3N(C([C@H](CC4=CNC5=CC=CC=C45)NC([C@H](CC6=CNC7=CC=CC=C67)NC([C@H]8N(C([C@H](CC9=CNC%10=CC=CC=C9%10)NC([C@H](CCCCN)NC([C@H](CC%11=CNC%12=CC=CC=C%11%12)NC([C@H]%13N(C([C@H](CC(C)C)NC([C@H]([C@@H](C)CC)N)=O)=O)CCC%13)=O)=O)=O)=O)CCC8)=O)=O)=O)CCC3)=O)=O)=O.O=C(O)C(F)(F)F

InChI

InChI=1S/C100H132N26O13.C2HF3O2/c1-5-57(4)85(102)95(136)123-79(45-56(2)3)96(137)124-42-20-36-82(124)92(133)118-76(46-58-51-110-68-28-11-6-23-63(58)68)89(130)116-74(33-16-17-39-101)88(129)121-80(49-61-54-113-71-31-14-9-26-66(61)71)97(138)125-43-21-38-84(125)94(135)120-78(48-60-53-112-70-30-13-8-25-65(60)70)91(132)122-81(50-62-55-114-72-32-15-10-27-67(62)72)98(139)126-44-22-37-83(126)93(134)119-77(47-59-52-111-69-29-12-7-24-64(59)69)90(131)117-75(35-19-41-109-100(106)107)87(128)115-73(86(103)127)34-18-40-108-99(104)105;3-2(4,5)1(6)7/h6-15,23-32,51-57,73-85,110-114H,5,16-22,33-50,101-102H2,1-4H3,(H2,103,127)(H,115,128)(H,116,130)(H,117,131)(H,118,133)(H,119,134)(H,120,135)(H,121,129)(H,122,132)(H,123,136)(H4,104,105,108)(H4,106,107,109);(H,6,7)/t57-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-;/m0./s1

Alternate CAS Number

140896-21-5

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat