Nociceptin Trifluoroacetic Acid Salt

Analyte Name

Nociceptin Trifluoroacetic Acid Salt

CAS Number

218297-67-7

Molecular Formula

C79H129N27O22 . x(C 2HF3O2)

SMILES

O=C(N)CC[C@@H](C(O)=O)NC([C@H](CC(N)=O)NC([C@H](C)NC([C@H](CC(C)C)NC([C@H](CCCCN)NC([C@H](CCCNC(N)=N)NC([C@H](C)NC([C@H](CO)NC([C@H](CCCCN)NC([C@H](CCCNC(N)=N)NC([C@H](C)NC(CNC([C@H]([C@H](O)C)NC([C@H](CC1=CC=CC=C1)NC(CNC(CNC([C@H](CC2=CC=CC=C2)N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O.FC(F)(C(O)=O)F

InChI

InChI=1S/C79H129N27O22.C2HF3O2/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46;3-2(4,5)1(6)7/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90);(H,6,7)/t42?,43?,44?,45?,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-;/m0./s1

Alternate CAS Number

Free Base: 170713-75-4

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat