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Chemical structure of Nociceptin (1-13)NH2

GC12316

Nociceptin (1-13)NH2

Also known as (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanamide

Nociceptin (1-13)NH2 is a potent ORL1 receptor (opioid receptor-like 1 receptor, OP4) agonist with a pEC50 of 7·9 for mouse vas deferens and a Ki of 0·75 nM for binding to rat forebrain membranes

ChemicalCAS178064-02-3MW1381.59FormulaC61H100N22O15
CAS number
178064-02-3
Molecular weight
1381.59
Formula
C61H100N22O15
Solubility
Soluble to 0·67 mg/ml in 20% acetonitrile
InChIKey
RHMALYOXPBRJBG-CGUXNFSNSA-N
Catalogue number
GC12316
Brand
GLPBIO
Computed properties PubChem CID 6324645 · XLogP -7 · TPSA 640 Ų · H-bond donors 22
XLogP
-7
TPSA
640 Ų
H-bond donors
22
H-bond acceptors
20
Rotatable bonds
47
Heavy atoms
98

SMILES C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)N)O

Computed descriptors from PubChem (CID 6324645), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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