Synonym
F9170 (trifluoroacetate salt); F9170 trifluoroacetate salt; F9170; F-9170; F 9170
IUPAC/Chemical Name
(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S)-2,20-bis((1H-indol-3-yl)methyl)-17-(2-amino-2-oxoethyl)-8-(3-amino-3-oxopropyl)-38-((S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanamido)-29-(4-aminobutyl)-5,26-bis(4-hydroxybenzyl)-11,14,23,32-tetraisobutyl-35-methyl-4,7,10,13,16,19,22,25,28,31,34,37-dodecaoxo-3,6,9,12,15,18,21,24,27,30,33,36-dodecaazahentetracontanedioic acid--2,2,2-trifluoroacetic acid (1/1)
InChi Key
PLEFXZZGSAQRSJ-PFMZBMFWSA-N
InChi Code
InChI=1S/C100H135N21O22.C2HF3O2/c1-52(2)38-73(113-87(129)56(9)108-88(130)72(34-36-86(127)128)112-97(139)79(109-85(126)48-102)44-59-49-105-67-21-13-10-18-64(59)67)91(133)110-70(24-16-17-37-101)89(131)117-77(42-57-25-29-62(122)30-26-57)95(137)115-76(41-55(7)8)94(136)119-80(45-60-50-106-68-22-14-11-19-65(60)68)98(140)120-81(47-84(104)125)99(141)116-75(40-54(5)6)93(135)114-74(39-53(3)4)92(134)111-71(33-35-83(103)124)90(132)118-78(43-58-27-31-63(123)32-28-58)96(138)121-82(100(142)143)46-61-51-107-69-23-15-12-20-66(61)69;3-2(4,5)1(6)7/h10-15,18-23,25-32,49-56,70-82,105-107,122-123H,16-17,24,33-48,101-102H2,1-9H3,(H2,103,124)(H2,104,125)(H,108,130)(H,109,126)(H,110,133)(H,111,134)(H,112,139)(H,113,129)(H,114,135)(H,115,137)(H,116,141)(H,117,131)(H,118,132)(H,119,136)(H,120,140)(H,121,138)(H,127,128)(H,142,143);(H,6,7)/t56-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-;/m0./s1
SMILES Code
OC(C(F)(F)F)=O.OC(C=C1)=CC=C1C[C@H](NC([C@H](CCCCN)NC([C@H](CC(C)C)NC([C@H](C)NC([C@H](CCC(O)=O)NC([C@@H](NC(CN)=O)CC2=CNC3=CC=CC=C23)=O)=O)=O)=O)=O)C(N[C@@H](CC(C)C)C(N[C@H](C(N[C@@H](CC(N)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CCC(N)=O)C(N[C@H](C(N[C@H](C(O)=O)CC4=CNC5=CC=CC=C45)=O)CC6=CC=C(C=C6)O)=O)=O)=O)=O)=O)CC7=CNC8=CC=CC=C78)=O)=O
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
