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Chemical structure of Dynorphin B

GC15078

Dynorphin B

Also known as (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

endogenous agonist for the kappa opioid receptor

ChemicalCAS83335-41-5MW1570.85FormulaC74H115N21O17
CAS number
83335-41-5
Molecular weight
1570.85
Formula
C74H115N21O17
Solubility
DMF： 30 mg/mL,DMSO： 30 mg/mL,PBS (pH 7·2)： 5 mg/mL
InChIKey
AGTSSZRZBSNTGQ-ITZCFHCWSA-N
Catalogue number
GC15078
Brand
GLPBIO
Computed properties PubChem CID 25075991 · XLogP -3.6 · TPSA 651 Ų · H-bond donors 22
XLogP
-3.6
TPSA
651 Ų
H-bond donors
22
H-bond acceptors
21
Rotatable bonds
51
Heavy atoms
112

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

Computed descriptors from PubChem (CID 25075991), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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