Iodocyclosporin A

Analyte Name

Iodocyclosporin A

CAS Number

59865-14-4

Molecular Formula

C62H110IN11O12

Molecular Weight

1328.51

Accurate Mass

1327.74

SMILES

O=C1NC(C)C(N(C(CC(C)C)C(N(C(CC(C)C)C(N(C(C(C)C)C(N(C(C2OC(C(C)I)CC2C)C(NC(CC)C(N(CC(N(C(CC(C)C)C(NC(C(C)C)C(N(C(CC(C)C)C(NC1C)=O)C)=O)=O)C)=O)C)=O)=O)C)=O)C)=O)C)=O)C)=O

InChI

InChI=1S/C62H110IN11O12/c1-25-42-58(81)68(18)31-48(75)69(19)43(26-32(2)3)55(78)67-49(36(10)11)61(84)70(20)44(27-33(4)5)54(77)64-40(16)53(76)65-41(17)57(80)71(21)45(28-34(6)7)59(82)72(22)46(29-35(8)9)60(83)73(23)50(37(12)13)62(85)74(24)51(56(79)66-42)52-38(14)30-47(86-52)39(15)63/h32-47,49-52H,25-31H2,1-24H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)

IUPAC

30-ethyl-33-(5-(1-iodoethyl)-3-methyltetrahydrofuran-2-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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat