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Dynorphin B (1-13)

CAT: 1410-M30524-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M30524-02Size:5 mg
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Description
Dynorphin B (1-13) acts as an agonist on opioid κ-receptor.
CAS Number
83335-41-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
1570.84
Molecular Formula
C74H115N21O17
Notes
Research use only, not for human use.
Receptor
Κ-opioid receptor

Chemical Information

Dynorphin B

tridecapeptide NH2-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Gln-Phe-Lys-Val-Val-Thr-COOH from bovine posterior pituitary gland; major leucine enkephalin containing peptide in tissue that contains dynorphin & alpha-neo-endorphin

CAS Number83335-41-5
PubChem CID25075991
IUPAC Name(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
Molecular FormulaC74H115N21O17
Molecular Weight1570.8
XLogP-3.6
Topological Polar Surface Area651
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count21
Rotatable Bond Count51
Heavy Atom Count112
Formal Charge0
Complexity3110
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)O)N)O
InChI
InChI=1S/C74H115N21O17/c1-40(2)34-53(91-68(107)54(36-44-18-10-8-11-19-44)86-58(100)39-84-57(99)38-85-62(101)48(76)35-46-25-27-47(97)28-26-46)67(106)89-51(24-17-33-83-74(80)81)63(102)87-50(23-16-32-82-73(78)79)64(103)90-52(29-30-56(77)98)65(104)92-55(37-45-20-12-9-13-21-45)69(108)88-49(22-14-15-31-75)66(105)93-59(41(3)4)70(109)94-60(42(5)6)71(110)95-61(43(7)96)72(111)112/h8-13,18-21,25-28,40-43,48-55,59-61,96-97H,14-17,22-24,29-39,75-76H2,1-7H3,(H2,77,98)(H,84,99)(H,85,101)(H,86,100)(H,87,102)(H,88,108)(H,89,106)(H,90,103)(H,91,107)(H,92,104)(H,93,105)(H,94,109)(H,95,110)(H,111,112)(H4,78,79,82)(H4,80,81,83)/t43-,48+,49+,50+,51+,52+,53+,54+,55+,59+,60+,61+/m1/s1
InChIKey
AGTSSZRZBSNTGQ-ITZCFHCWSA-N
Chemical Structure
2D Structure
2D structure of Dynorphin B
CAS: 83335-41-5
CID: 25075991
Formula: C74H115N21O17
MW: 1570.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1570.8
XLogP3-3.6
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count21
Rotatable Bond Count51
Exact Mass1569.87798128
Monoisotopic Mass1569.87798128
Topological Polar Surface Area651 Ų
Heavy Atom Count112
Formal Charge0
Complexity3110
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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