A 779 TFA
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A 779 TFA

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A 779 TFA is a potent angiotensin (1-7) receptor antagonist.

Category
Peptide Inhibitors
Catalog number
BAT-016355
Molecular Formula
C41H61F3N12O13
Molecular Weight
987.01
A 779 TFA
IUPAC Name
(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(1R)-1-carboxyethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
Synonyms
H-Asp-Arg-Val-Tyr-Ile-His-D-Ala-OH.TFA; L-alpha-aspartyl-L-arginyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-D-alanine trifluoroacetic acid; A-779 trifluoroacetate salt; (D-Ala7)-Angiotensin I/II (1-7) Trifluoroacetate; 5-L-Isoleucine-7-D-alanine-1-7-angiotensin II trifluoroacetate; A 779 TFA
Related CAS
159432-28-7 (free base)
Purity
≥95%
Sequence
DRVYIHa.TFA
Storage
Store at -20°C
Solubility
Soluble in DMSO
InChI
InChI=1S/C39H60N12O11.C2HF3O2/c1-6-20(4)31(37(60)49-28(15-23-17-43-18-45-23)34(57)46-21(5)38(61)62)51-35(58)27(14-22-9-11-24(52)12-10-22)48-36(59)30(19(2)3)50-33(56)26(8-7-13-44-39(41)42)47-32(55)25(40)16-29(53)54;3-2(4,5)1(6)7/h9-12,17-21,25-28,30-31,52H,6-8,13-16,40H2,1-5H3,(H,43,45)(H,46,57)(H,47,55)(H,48,59)(H,49,60)(H,50,56)(H,51,58)(H,53,54)(H,61,62)(H4,41,42,44);(H,6,7)/t20-,21+,25-,26-,27-,28-,30-,31-;/m0./s1
InChI Key
KEBJQEFOFJTHSC-VLIPIWRHSA-N
Canonical SMILES
CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)NC(C)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N.C(=O)(C(F)(F)F)O
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