Isocyclosporin A

Isocyclosporin A is an isomer of cyclosporin A (Cay-12088) that forms upon acid hydrolysis or upon ionization during mass spectrometry (MS). A method to differentiate the two isomers during MS has been described.Formal Name: (11->1)-lactone-(2S,3R,4R,6E)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl-(2S)-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valine. CAS Number: 59865-16-6. Molecular Formula: C62H111N11O12. Formula Weight: 1202.6. Purity: >98%. Formulation: (Request formulation change), A powder. Solubility: DMF: Soluble, DMSO: Soluble, Ethanol: Soluble, Methanol: Soluble. SMILES: CC(C/C=C/C)C(C(NC)C(NC(CC)C(N(C)CC(N(C)C(CC(C)C)C(NC(C(C)C)C(N(C)C1CC(C)C)=O)=O)=O)=O)=O)OC(C(C(C)C)N(C)C(C(CC(C)C)N(C)C(C(CC(C)C)N(C)C(C(C)NC(C(C)NC1=O)=O)=O)=O)=O)=O. InChi Code: InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52-50(63-18)56(78)66-43(26-2)58(80)68(19)33-48(74)69(20)44(29-34(3)4)55(77)67-49(38(11)12)61(83)70(21)45(30-35(5)6)54(76)64-41(16)53(75)65-42(17)57(79)71(22)46(31-36(7)8)59(81)72(23)47(32-37(9)10)60(82)73(24)5. InChi Key: QEKLELUAISGHEL-IMVLJIQESA-N.