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(Pro34) -Peptide YY (human)

CAT: 0804-HY-P3876Size: 1 EachDry Ice: NoHazardous: No
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Description
(Pro34) -Peptide YY (human) is a highly Y1-selective full agonist of Peptide YY /neuropeptide Y receptors[1].
CAS Number
179986-93-7
UNSPSC
12352209
Target
Neuropeptide Y Receptor
Type
Peptides
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/pro34-peptide-yy-human.html
Solubility
H2O
Smiles
O=C(N1[C@@H](CCC1)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CCCCN)C(N2[C@@H](CCC2)C(N[C@@H](CCC(O)=O)C(N[C@@H](C)C(N3[C@@H](CCC3)C(NCC(N[C@@H](CCC(O)=O)C(N[C@@H](CC(O)=O)C(N[C@@H](C)C(N[C@@H](CO)C(N4[C@@H](CCC4)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC5=CC=C(C=C5)O)C(N[C@@H](CC6=CC=C(C=C6)O)C(N[C@@H](C)C(N[C@@H](CO)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC7=CNC=N7)C(N[C@@H](CC8=CC=C(C=C8)O)C(N[C@@H](CC(C)C)C(N[C@@H](CC(N)=O)C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@@H]([C@H](O)C)C(N[C@@H](CCCNC(N)=N)C(N9[C@@H](CCC9)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC%10=CC=C(C=C%10)O)C(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CC%11=CC=C(C=C%11)O)N
Molecular Formula
C194H294N54O56
Molecular Weight
4278.73
References & Citations
[1]Grandt D, et al. [Pro34]peptide YY is a Y1-selective agonist at peptide YY/neuropeptide Y receptors. Eur J Pharmacol. 1994 Oct 14;269 (2) :127-32.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported
Isoform
NPY Y1 receptor

Chemical Information

CID 172641525
CAS Number179986-93-7
PubChem CID172641525
IUPAC Name(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoic acid
Molecular FormulaC194H294N54O56
Molecular Weight4279
XLogP-12.4
Topological Polar Surface Area1780
Hydrogen Bond Donor Count61
Hydrogen Bond Acceptor Count63
Rotatable Bond Count134
Heavy Atom Count304
Formal Charge0
Complexity10600
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CNC=N6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC9=CC=C(C=C9)O)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(C=C1)O)N
InChI
InChI=1S/C194H294N54O56/c1-17-100(12)154(242-182(296)144-38-25-73-245(144)187(301)116(196)81-105-39-49-111(252)50-40-105)184(298)225-124(29-18-19-67-195)188(302)246-74-27-36-142(246)180(294)223-121(60-64-149(262)263)159(273)217-103(15)186(300)244-72-24-34-140(244)178(292)213-91-147(259)218-120(59-63-148(260)261)163(277)238-137(89-152(268)269)167(281)216-102(14)158(272)240-139(93-250)190(304)248-76-28-37-143(248)181(295)224-123(62-66-151(266)267)164(278)221-122(61-65-150(264)265)165(279)228-128(78-96(4)5)169(283)236-135(87-145(197)257)174(288)220-117(30-20-68-209-191(200)201)161(275)232-132(84-108-45-55-114(255)56-46-108)172(286)233-131(83-107-43-53-113(254)54-44-107)166(280)215-101(13)157(271)239-138(92-249)177(291)231-127(77-95(2)3)168(282)219-118(31-21-69-210-192(202)203)162(276)235-134(86-110-90-208-94-214-110)173(287)234-133(85-109-47-57-115(256)58-48-109)171(285)229-129(79-97(6)7)170(284)237-136(88-146(198)258)175(289)230-130(80-98(8)9)176(290)241-153(99(10)11)183(297)243-155(104(16)251)185(299)226-125(33-23-71-212-194(206)207)189(303)247-75-26-35-141(247)179(293)222-119(32-22-70-211-193(204)205)160(274)227-126(156(199)270)82-106-41-51-112(253)52-42-106/h39-58,90,94-104,116-144,153-155,249-256H,17-38,59-89,91-93,195-196H2,1-16H3,(H2,197,257)(H2,198,258)(H2,199,270)(H,208,214)(H,213,292)(H,215,280)(H,216,281)(H,217,273)(H,218,259)(H,219,282)(H,220,288)(H,221,278)(H,222,293)(H,223,294)(H,224,295)(H,225,298)(H,226,299)(H,227,274)(H,228,279)(H,229,285)(H,230,289)(H,231,291)(H,232,275)(H,233,286)(H,234,287)(H,235,276)(H,236,283)(H,237,284)(H,238,277)(H,239,271)(H,240,272)(H,241,290)(H,242,296)(H,243,297)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H4,200,201,209)(H4,202,203,210)(H4,204,205,211)(H4,206,207,212)/t100-,101-,102-,103-,104+,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,153-,154-,155-/m0/s1
InChIKey
RTWBDYGDFLJKEV-LNLBVLFBSA-N
Chemical Structure
2D Structure
2D structure of CID 172641525
CAS: 179986-93-7
CID: 172641525
Formula: C194H294N54O56
MW: 4279
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight4279
XLogP3-12.4
Hydrogen Bond Donor Count61
Hydrogen Bond Acceptor Count63
Rotatable Bond Count134
Exact Mass4278.1884840
Monoisotopic Mass4276.1817743
Topological Polar Surface Area1780 Ų
Heavy Atom Count304
Formal Charge0
Complexity10600
Isotope Atom Count0
Defined Atom Stereocenter Count37
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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