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900169

Sigma-Aldrich

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

≥98 atom % D, ≥95% (CP)

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Empirical Formula (Hill Notation):
C45D5H62F3N12O14S2
Molecular Weight:
1126.24
UNSPSC Code:
12352209
PubChem Substance ID:
NACRES:
NA.13

isotopic purity

≥98 atom % D

Quality Level

assay

≥95% (CP)

form

powder

technique(s)

mass spectrometry (MS): suitable
protein expression: suitable

mass shift

M+5

shipped in

dry ice

storage temp.

−20°C

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

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

Related Categories

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable


Certificates of Analysis (COA)

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