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Valorphin

CAT: 0013-GTR19157303-08Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157303-08Size:50 mg
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Description
Valorphin has opioid analgesic activity binds to rat mu-opioid receptor with an IC50 of 14 nM.
CAS Number
144313-54-2
Product Name Alternative
Valorphin TFAsalt
Purity
>98% (HPLC)
Smiles
CC (C) [C@H] (N) C (=O) N[C@@H] (C (C) C) C (=O) N[C@@H] (Cc1ccc (O) cc1) C (=O) N1CCC[C@H]1C (=O) N[C@@H] (Cc1c[nH]c2ccccc12) C (=O) N[C@@H] ([C@@H] (C) O) C (=O) N[C@@H] (CCC (N) =O) C (O) =O
Molecular Formula
C44H60N8O12
Molecular Weight
893
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Valorphin

Valorphin is an oligopeptide.

CAS Number144313-54-2
PubChem CID90470048
IUPAC Name(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]pentanedioic acid
Molecular FormulaC44H60N8O12
Molecular Weight893.0
XLogP-0.8
Topological Polar Surface Area323
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count13
Rotatable Bond Count22
Heavy Atom Count64
Formal Charge0
Complexity1660
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N)O
InChI
InChI=1S/C44H60N8O12/c1-22(2)35(45)40(59)50-36(23(3)4)41(60)49-32(19-25-12-14-27(54)15-13-25)43(62)52-18-8-11-33(52)39(58)48-31(20-26-21-46-29-10-7-6-9-28(26)29)38(57)51-37(24(5)53)42(61)47-30(44(63)64)16-17-34(55)56/h6-7,9-10,12-15,21-24,30-33,35-37,46,53-54H,8,11,16-20,45H2,1-5H3,(H,47,61)(H,48,58)(H,49,60)(H,50,59)(H,51,57)(H,55,56)(H,63,64)/t24-,30+,31+,32+,33+,35+,36+,37+/m1/s1
InChIKey
CNYWVXYFCKFXLL-NMUVPRMFSA-N
Chemical Structure
2D Structure
2D structure of Valorphin
CAS: 144313-54-2
CID: 90470048
Formula: C44H60N8O12
MW: 893.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight893.0
XLogP3-0.8
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count13
Rotatable Bond Count22
Exact Mass892.43306938
Monoisotopic Mass892.43306938
Topological Polar Surface Area323 Ų
Heavy Atom Count64
Formal Charge0
Complexity1660
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M20720-01Valorphin
M21005-01Valorphin TFA
PE-89706-01Valorphin Peptide
H-8880.0005Leu-Valorphin-Arg
PE-89707-01Leu-Valorphin-Arg Peptide
V1030-05Valorphin [Arg, Leu] (LVV-Hemorphin-6 (human) )
MBS658088-01Valorphin [Arg, Leu] (LVV-Hemorphin-6 (human))

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