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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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About This Item

Empirical Formula (Hill Notation):
C45D5H62F3N12O14S2
Molecular Weight:
1126.24
UNSPSC Code:
12352209
PubChem Substance ID:
329769785

isotopic purity

≥98 atom % D

Quality Level

200

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.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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