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Ac-RYYRIK-NH2

CAT: 1410-M30821Size: 1 EachDry Ice: NoHazardous: No
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Description
High affinity ligand for the NOP site (Ki = 1.5 nM) . Antagonizes nociceptin-stimulated GTP binding in rat brain and the chronotropic effect of nociceptin on rat cardiomyocytes. However, displays potent agonist properties in vivo, inhibiting locomotor activity in mice.
CAS Number
200959-48-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
939.12
Molecular Formula
C44H70N14O9
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Ac-RYYRIK-NH2
CAS Number200959-48-4
PubChem CID9963005
IUPAC Name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-6-aminohexanamide
Molecular FormulaC44H70N14O9
Molecular Weight939.1
XLogP-1.6
Topological Polar Surface Area413
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count12
Rotatable Bond Count30
Heavy Atom Count67
Formal Charge0
Complexity1640
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C
InChI
InChI=1S/C44H70N14O9/c1-4-25(2)36(42(67)54-31(37(46)62)9-5-6-20-45)58-39(64)33(11-8-22-52-44(49)50)55-40(65)34(23-27-12-16-29(60)17-13-27)57-41(66)35(24-28-14-18-30(61)19-15-28)56-38(63)32(53-26(3)59)10-7-21-51-43(47)48/h12-19,25,31-36,60-61H,4-11,20-24,45H2,1-3H3,(H2,46,62)(H,53,59)(H,54,67)(H,55,65)(H,56,63)(H,57,66)(H,58,64)(H4,47,48,51)(H4,49,50,52)/t25-,31-,32-,33-,34-,35-,36-/m0/s1
InChIKey
WBBBVZGQADABSU-RERZDIOCSA-N
Chemical Structure
2D Structure
2D structure of Ac-RYYRIK-NH2
CAS: 200959-48-4
CID: 9963005
Formula: C44H70N14O9
MW: 939.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight939.1
XLogP3-1.6
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count12
Rotatable Bond Count30
Exact Mass938.54501987
Monoisotopic Mass938.54501987
Topological Polar Surface Area413 Ų
Heavy Atom Count67
Formal Charge0
Complexity1640
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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