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Chemical structure of α-Neoendorphin

GA23995

α-Neoendorphin

Also known as (2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-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]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid

A hypothalamic opioid peptide related to Leu-enkephalin and dynorphin A with potent activity in the guinea-pig ileum assay

ChemicalCAS69671-17-6MW1228.46FormulaC60H89N15O13
CAS number
69671-17-6
Molecular weight
1228.46
Formula
C60H89N15O13
Solubility
Soluble in DMSO
InChIKey
KZTDMJBCZSGHOG-XJIZABAQSA-N
Catalogue number
GA23995
Brand
GLPBIO
Computed properties PubChem CID 5311003 · XLogP -2.1 · TPSA 473 Ų · H-bond donors 16
XLogP
-2.1
TPSA
473 Ų
H-bond donors
16
H-bond acceptors
17
Rotatable bonds
38
Heavy atoms
88

SMILES CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CNC(=O)CNC(=O)[C@H](CC4=CC=C(C=C4)O)N

Computed descriptors from PubChem (CID 5311003), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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