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Neuropeptide SF (mouse, rat)

CAT: 0607-B5465-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-B5465-1Size:1 mg
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Description
neuropeptide FF receptor agonist
CAS Number
230960-31-3
Product Name Alternative
(S,Z)-2-((Z)-(((S)-1-((S)-2-((Z)-((S)-2-((Z)-((S)-2-((Z)-((S)-2-amino-1,3-dihydroxypropylidene)amino)-1-hydroxy-4-methylpentylidene)amino)-1-hydroxypropylidene)amino)propanoyl)pyrrolidin-2-yl)(hydroxy)methylene)amino)-N'1-((S,Z)-5-guanidino-1-hydroxy-1-((
Field of Research
GPCR G protein Neuropeptide FF AF Receptors
Form
White lyophilised solid
Solubility
Soluble to 1 mg/ml in 20% acetonitrile / H2O
Smiles
CC(C[C@@](/N=C(O)/[C@](N)([H])CO)([H])/C(O)=N/[C@@](/C(O)=N/[C@@](C(N1CCC[C@@]1([H])/C(O)=N/[C@@](/C(O)=N/[C@@](/C(O)=N/[C@@](C(O)=N)([H])CC2=CC=CC=C2)([H])CCCNC(N)=N)([H])CCC(O)=N)=O)([H])C)([H])C)C
Molecular Formula
C40H65N13O10
Molecular Weight
888.03
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Neuropeptide SF (mouse, rat)
CAS Number230960-31-3
PubChem CID90488868
IUPAC Name(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide
Molecular FormulaC40H65N13O10
Molecular Weight888.0
XLogP-3.3
Topological Polar Surface Area392
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count12
Rotatable Bond Count26
Heavy Atom Count63
Formal Charge0
Complexity1640
SMILES
C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)N
InChI
InChI=1S/C40H65N13O10/c1-21(2)18-29(52-34(58)25(41)20-54)37(61)47-22(3)33(57)48-23(4)39(63)53-17-9-13-30(53)38(62)50-27(14-15-31(42)55)36(60)49-26(12-8-16-46-40(44)45)35(59)51-28(32(43)56)19-24-10-6-5-7-11-24/h5-7,10-11,21-23,25-30,54H,8-9,12-20,41H2,1-4H3,(H2,42,55)(H2,43,56)(H,47,61)(H,48,57)(H,49,60)(H,50,62)(H,51,59)(H,52,58)(H4,44,45,46)/t22-,23-,25-,26-,27-,28-,29-,30-/m0/s1
InChIKey
OLOSAWFREOVGQW-CJKZIAQFSA-N
Chemical Structure
2D Structure
2D structure of Neuropeptide SF (mouse, rat)
CAS: 230960-31-3
CID: 90488868
Formula: C40H65N13O10
MW: 888.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight888.0
XLogP3-3.3
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count12
Rotatable Bond Count26
Exact Mass887.49773532
Monoisotopic Mass887.49773532
Topological Polar Surface Area392 Ų
Heavy Atom Count63
Formal Charge0
Complexity1640
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-P1249Neuropeptide SF (mouse, rat)
TP1884-01Neuropeptide SF(mouse,rat)
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PE-57893-01Neuropeptide Ei (Human Mouse Rat)
CCP2663-01Neuropeptide EI (Human, Mouse, Rat)
005-61Neuropeptide W-23 (Rat, Mouse)
GTR18918556-01Neuropeptide SF (mouse, rat) acetate
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E-PP-1606-01Neuropeptide EI, human, mouse, rat
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