Cyclosporin A Sulfate

Analyte Name

Cyclosporin A Sulfate

CAS Number

121673-00-5

Molecular Formula

C₆₂H₁₁₁N₁₁O₁₅S

Molecular Weight

1282.67

Accurate Mass

1282.11

SMILES

O=C(C(N(C([C@@H](NC([C@@H](NC)CC(C)C)=O)C(C)C)=O)C)[C@](OS(=O)(O)=O)([C@@]([H])(C/C=C/C)C)[H])C(C(NCC[MeLeu-D-Ala-Ala-MeLeu-Val-MeLeu]CCC)CC)=O.CNCC=O

InChI

InChI=1S/C62H111N11O15S/c1-25-27-28-40(15)52(88-89(85,86)87)51-56(78)65-43(26-2)58(80)67(18)33-48(74)68(19)44(29-34(3)4)55(77)66-49(38(11)12)61(83)69(20)45(30-35(5)6)54(76)63-41(16)53(75)64-42(17)57(79)70(21)46(31-36(7)8)59(81)71(22)47(32-37(9)10)60(82)72(23)50(39(13)14)62(84)73(51)24/h25,27,34-47,49-52H,26,28-33H2,1-24H3,(H,63,76)(H,64,75)(H,65,78)(H,66,77)(H,85,86,87)

IUPAC

[1-(5-ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,10,16,20,23,25,28,31-nonamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl)-2-methyl-hex-4-enyl] hydrogen sulfate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat