Dermorphin TFA

CAT: 0931-T7748-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T7748-01Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

78331-26-7

Target

Opioid Receptor

Related Pathways

Endocrinology/Hormones, Neuroscience, GPCR/G Protein

Purity

>99.99%

Bioactivity

Dermorphin TFA is a new class of opioids-like peptides

Smiles

C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O.O=C(O)C(F)(F)F

Molecular Formula

C42H51F3N8O12

Molecular Weight

916.89

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Dermorphin Trifluoroacetic Acid Salt

CAS Number	78331-26-7
PubChem CID	131698721
IUPAC Name	(2S)-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
Molecular Formula	C42H51F3N8O12
Molecular Weight	916.9
Topological Polar Surface Area	333
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	19
Heavy Atom Count	65
Formal Charge	0
Complexity	1500

SMILES

C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C40H50N8O10.C2HF3O2/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53;3-2(4,5)1(6)7/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57);(H,6,7)/t23-,29+,30+,31+,32+,33+;/m1./s1

InChIKey

MUBFSOVWSMFSSQ-YYEHHWDVSA-N

Chemical Structure

2D Structure

CAS: 78331-26-7

CID: 131698721

Formula: C42H51F3N8O12

MW: 916.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	916.9
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	19
Exact Mass	916.35785358
Monoisotopic Mass	916.35785358
Topological Polar Surface Area	333 Å²
Heavy Atom Count	65
Formal Charge	0
Complexity	1500
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
HY-P0244-01	Dermorphin
HY-P0244A-01	Dermorphin (TFA)
008159	Dermorphin Trifluoroacetate
5-01042	Dermorphin Analog
abx266566-01	Dermorphin Peptide

Dermorphin TFA

Chemical Information

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