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Angiotensin III trifluoroacetate salt hydrate

SIGMA/10385 - ≥98% (HPCE)

Synonym: Des-Asp-1-Angiotensin II trifluoroacetate salt hydrate

CAS Number: 12687-51-3 (free base)
Empirical Formula (Hill Notation): C46H66N12O9 · xC2HF3O2 · yH2O
Molecular Weight: 931.09 (anhydrous free base basis)
MDL Number: MFCD20264812
Linear Formula: C46H66N12O9 · xC2HF3O2 · yH2O
Product Type: Chemical

Catalog Number PKG Qty. Price Quantity
45-10385-5MG 5 mg
$94.20
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45-10385-25MG 25 mg
$343.00
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assay ≥98% (HPCE)
InChI 1S/C46H66N12O9.C2HF3O2.H2O/c1-5-27(4)38(57-40(61)33(21-29-15-17-31(59)18-16-29)53-42(63)37(26(2)3)56-39(60)32(47)13-9-19-51-46(48)49)43(64)54-34(23-30-24-50-25-52-30)44(65)58-20-10-14-36(58)41(62)55-35(45(66)67)22-28-11-7-6-8-12-28;3-2(4,5)1(6)7;/h6-8,11-12,15-18,24-27,32-38,59H,5,9-10,13-14,19-23,47H2,1-4H3,(H,50,52)(H,53,63)(H,54,64)(H,55,62)(H,56,60)(H,57,61)(H,66,67)(H4,48,49,51);(H,6,7);1H2/t27-,32-,33-,34-,35-,36-,37-,38-;;/m0../s1
InChI key JEOAJMGVSAMVML-UFPGTABSSA-N
Quality Level 100 
SMILES string O.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc4ccccc4)C(O)=O
solubility H2O: 1.0 mg/mL, clear, colorless
storage temp. −20°C
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