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DPDPE TFA

CAT: 1410-M22974-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M22974-04Size:25 mg
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Description
DPDPE TFA is selective δ-opioid receptor agonist peptide. Inhibits electrically stimulated contraction of mouse vas deferens in vitro (EC50 = 5.2 nM), and is antinociceptive in vivo.
CAS Number
172888-59-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
645.79
Molecular Formula
C30H39N5O7S2
Notes
Research use only, not for human use.
Receptor
Δ-opioid receptor

Chemical Information

Dpdpe tfa
CAS Number172888-59-4
PubChem CID137700461
IUPAC Name(4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid;2,2,2-trifluoroacetic acid
Molecular FormulaC32H40F3N5O9S2
Molecular Weight759.8
Topological Polar Surface Area288
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Heavy Atom Count51
Formal Charge0
Complexity1130
SMILES
CC1([C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(SS1)(C)C)C(=O)O)CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)C.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C30H39N5O7S2.C2HF3O2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29;3-2(4,5)1(6)7/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42);(H,6,7)/t20-,21-,23-,24-;/m0./s1
InChIKey
LUVILUYVBUMMRG-JZHXPYGKSA-N
Chemical Structure
2D Structure
2D structure of Dpdpe tfa
CAS: 172888-59-4
CID: 137700461
Formula: C32H40F3N5O9S2
MW: 759.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight759.8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Exact Mass759.22195470
Monoisotopic Mass759.22195470
Topological Polar Surface Area288 Ų
Heavy Atom Count51
Formal Charge0
Complexity1130
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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