Cyclosporin AM 4N Acetate

Analyte Name

Cyclosporin AM 4N Acetate

Molecular Formula

C63 H111 N11 O13

Molecular Weight

1230.621

Accurate Mass

1229.836

SMILES

CC[C@@H]1NC(=O)[C@H]([C@H](OC(=O)C)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CN(C)C1=O)C(C)C

InChI

InChI=1S/C63H111N11O13/c1-25-27-28-40(15)53(87-43(18)75)52-57(80)67-44(26-2)59(82)69(19)33-49(76)66-45(29-34(3)4)55(78)68-50(38(11)12)62(85)70(20)46(30-35(5)6)56(79)64-41(16)54(77)65-42(17)58(81)71(21)47(31-36(7)8)60(83)72(22)48(32-37(9)10)61(84)73(23)51(39(13)14)63(86)74(52)24/h25,27,34-42,44-48,50-53H,26,28-33H2,1-24H3,(H,64,79)(H,65,77)(H,66,76)(H,67,80)(H,68,78)/b27-25+/t40-,41?,42?,44+,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1

IUPAC

[(E,1R,2R)-1-[(2S,5S,11S,14S,17S,26S,29S,32S)-5-ethyl-1,7,16,20,23,25,28,31-octamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-2-methylhex-4-enyl] acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat