Analyte Name

Romidepsin-d8

Molecular Formula

C24 D8 H28 N4 O6 S2

Molecular Weight

548.745

Accurate Mass

548.258

SMILES

[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])[C@]1([2H])NC(=O)\C(=C\C)\NC(=O)[C@@H]2CSSCC\C=C\[C@@H](CC(=O)NC(C(C)C)C(=O)N2)OC1=O

InChI

InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19?,20-/m0/s1/i4D3,5D3,14D,20D

IUPAC

(1R,4S,7Z,10R,16E)-4-deuterio-7-ethylidene-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-21-propan-2-yl-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone

Unlabelled CAS Number

128517-07-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat