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Nociceptin

CAT: 1410-M22288-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M22288-04Size:25 mg
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Description
Nociceptin is a 17-amino-acid polypeptide that is structurally related to the opioid peptide dynorphin A.Nociceptin (1 μg/mL) significantly prevents LPS (10 ng/mL) -stimulated cell migration whereas it is ineffective when added alone.
CAS Number
170713-75-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
1809.04
Molecular Formula
C79H129N27O22
Notes
Research use only, not for human use.
Receptor
Opioid Receptor

Chemical Information

Nociceptin

Nociceptin is a seventenn-membered polypeptide consisting of Phe, Gly, Gly, Phe, Thr, Gly, Ala, Arg, Lys, Ser, Ala, Arg, Lys, Leu, Ala, Asn and Gln residue joined in sequence. It has a role as a human metabolite and a rat metabolite. It is a polypeptide and an organic molecular entity.

CAS Number170713-75-4
PubChem CID16131448
IUPAC Name(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(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-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC79H129N27O22
Molecular Weight1809.0
XLogP-10.2
Topological Polar Surface Area831
Hydrogen Bond Donor Count30
Hydrogen Bond Acceptor Count27
Rotatable Bond Count64
Heavy Atom Count128
Formal Charge0
Complexity3720
SMILES
C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)N)O
InChI
InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
InChIKey
PULGYDLMFSFVBL-SMFNREODSA-N
Chemical Structure
2D Structure
2D structure of Nociceptin
CAS: 170713-75-4
CID: 16131448
Formula: C79H129N27O22
MW: 1809.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1809.0
XLogP3-10.2
Hydrogen Bond Donor Count30
Hydrogen Bond Acceptor Count27
Rotatable Bond Count64
Exact Mass1807.98054885
Monoisotopic Mass1807.98054885
Topological Polar Surface Area831 Ų
Heavy Atom Count128
Formal Charge0
Complexity3720
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
CCP1352-01Nociceptin

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