A188027
Acetyl Voclosporin-d4 (Major, ~85%)
| Trivial name | Acetyl Voclosporin-d4 (Major, ~85%) |
| Catalog Number | TRC-A188027-10MG |
| Alternative Name(s) | 6-[(2S,3R,4R,6E)-3-(Acetyloxy)-4-methyl-2-(methylamino)-6,8-nonadienoic acid]-cyclosporin A-d4 |
| Molecular Formula | C₆₅H₁₀₉D₄N₁₁O₁₃ |
| Inchi | InChI=1S/C64H113N11O12/c1-26-28-41(15)33-42(16)54(77)53-58(81)67-45(27-2)60(83)69(19)34-50(76)70(20)46(29-35(3)4)57(80)68-51(39(11)12)63(86)71(21)47(30-36(5)6)56(79)65-43(17)55(78)66-44(18)59(82)72(22)48(31-37(7)8)61(84)73(23)49(32-38(9)10)62(85)74(24)52(40(13)14)64(87)75(53)25/h26,28,35-40,42-49,51-54,77H,1,27,29-34H2,2-25H3,(H,65,79)(H,66,78)(H,67,81)(H,68,80)/b41-28+/t42-,43+,44-,45+,46+,47+,48+,49+,51+,52+,53+,54-/m1/s1/i1D2,28D |
| SMILES | O=C([Abu-MeGly]CC[MeLeu-D-Ala-Ala-MeLeu-Val-MeLeu]CCC)C([C@]([H])(OC(C)=O)[C@@](C)([H])C/C=C([2H])/C([2H])=C([2H])/[2H])N(C)C([C@H](C(C)C)NC([C@H](CC(C)C)NC)=O)=O |
| Beilstein Registry Number | NA |
| Size | 10mg |
| Supplier Page | https://www.lgcstandards.com/CA/en/p/TRC-A188027-10MG |