Iso Cyclosporin H Trifluoroacetic Acid Salt

Analyte Name

Iso Cyclosporin H Trifluoroacetic Acid Salt

Molecular Formula

C62H111N11O12 . x(C2HF3O2)

SMILES

CN(C(C(CC(C)C)N(C)C(C(C)NC(C(C)NC(C(CC(C)C)N(C)C(C(C(C)C)NC(C(N1C)CC(C)C)=O)=O)=O)=O)=O)=O)C(CC(C)C)C(N(C)C(C(C)C)C(N(C)C(C(O)C(C)C/C=C/C)C(NC(CC)C(N(C)CC1=O)=O)=O)=O)=O

InChI

InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+

IUPAC

(E)-30-ethyl-33-(1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone

Alternate CAS Number

83602-43-1; 83602-39-5 free amine

Storage Temperature

-20°C

Shipping Temperature

Dry Pack

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat