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Oxytocin-(leucine-5,5,5-d3, glycine-2,2-d2) trifluoroacetate salt

ALDRICH/900169 - ≥98 atom % D, ≥95% (CP)

Empirical Formula (Hill Notation): C45D5H62F3N12O14S2
Molecular Weight: 1126.24
Linear Formula: C45D5H62F3N12O14S2
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-900169-1MG 1 mg
 $739.00
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assay ≥95% (CP)
form powder
InChI 1S/C43H66N12O12S2.C2HF3O/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59;3-2(4,5)1-6/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64);1H/t22-,25-,26-,27+,28-,29-,30?,31-,35?;/m0./s1/i2D3,18D2;/t21?,22-,25-,26-,27+,28-,29-,30?,31-,35?;
InChI key UDEADCFUWXEORZ-CBQPFPEMSA-N
isotopic purity ≥98 atom % D
mass shift M+5
Quality Level 200 
shipped in dry ice
SMILES string O=C([C@H](CSSCC(C(N1CCC[C@H]1C(N[C@H](CC(C)C([2H])([2H])[2H])C(NC([2H])([2H])C(N)=O)=O)=O)=O)NC([C@H](CC(N)=O)N2)=O)N)N[C@H](C(N[C@@]([C@H](CC)C)([H])C(N[C@@H](CCC(N)=O)C2=O)=O)=O)CC3=CC=C(O)C=C3.O=CC(F)(F)F
storage temp. −20°C
technique(s) mass spectrometry (MS): suitable
  protein expression: suitable
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