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Peptide YY (3-36), human

CAT: 0013-GTR19153317-01Size: 0.5 mgDry Ice: NoHazardous: No
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Description
Peptide YY (3-36), human (also known as PYY; CAS number: 123583-37-9) is a compound with a molecular weight of 4049.55 Da and a purity of ≥95%.
CAS Number
123583-37-9
Product Name Alternative
PYY
Purity
≥95%
Solubility
Soluble in water (1 mg/mL), DMSO.
Smiles
CCC (C) C (C (=O) NC (CCCCN) C (=O) N1CCCC1C (=O) NC (CCC (=O) O) C (=O) NC (C) C (=O) N2CCCC2C (=O) NCC (=O) NC (CCC (=O) O) C (=O) NC (CC (=O) O) C (=O) NC (C) C (=O) NC (CO) C (=O) N3CCCC3C (=O) NC (CCC (=O) O) C (=O) NC (CCC (=O) O) C (=O) NC (CC (C) C) C (=O) NC (CC (=O) N) C (=O) NC (CCCNC (=N) N) C (=O) NC (CC4=CC=C (C=C4) O) C (=O) NC (CC5=CC=C (C=C5) O) C (=O) NC (C) C (=O) NC (CO) C (=O) NC (CC (C) C) C (=O) NC (CCCNC (=N) N) C (=O) NC (CC6=CNC=N6) C (=O) NC (CC7=CC=C (C=C7) O) C (=O) NC (CC (C) C) C (=O) NC (CC (=O) N) C (=O) NC (CC (C) C) C (=O) NC (C (C) C) C (=O) NC (C (C) O) C (=O) NC (CCCNC (=N) N) C (=O) NC (CCC (=O) N) C (=O) NC (CCCNC (=N) N) C (=O) NC (CC8=CC=C (C=C8) O) C (=O) N) N
Molecular Formula
C180H279N53O54
Molecular Weight
4049.55
Storage Conditions
Storage Temp: -20°C
Notes
For research use only.

Chemical Information

Peptide yy (3-36)

Peptide YY (3-36), a synthetic human PYY 3-36, is a compound being evaluated for the treatment of obesity. It reduces appetite and increases satiety in obese patients.

CAS Number123583-37-9
PubChem CID59404585
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)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-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-amino-3-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoic acid
Molecular FormulaC180H279N53O54
Molecular Weight4049
XLogP-14.9
Topological Polar Surface Area1760
Hydrogen Bond Donor Count61
Hydrogen Bond Acceptor Count61
Rotatable Bond Count133
Heavy Atom Count287
Formal Charge0
Complexity9890
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)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)N)N
InChI
InChI=1S/C180H279N53O54/c1-17-91(12)141(185)171(282)214-114(27-18-19-61-181)175(286)232-67-25-33-130(232)169(280)211-111(53-58-137(247)248)147(258)204-94(15)174(285)231-66-24-32-129(231)168(279)200-82-135(244)205-109(52-57-136(245)246)152(263)226-126(80-140(253)254)157(268)203-93(14)146(257)228-128(84-235)176(287)233-68-26-34-131(233)170(281)212-113(55-60-139(251)252)154(265)210-112(54-59-138(249)250)155(266)216-117(70-87(4)5)159(270)224-124(78-133(183)242)164(275)208-106(29-21-63-197-178(189)190)150(261)220-121(75-98-39-47-103(239)48-40-98)162(273)221-120(74-97-37-45-102(238)46-38-97)156(267)202-92(13)145(256)227-127(83-234)167(278)219-116(69-86(2)3)158(269)207-107(30-22-64-198-179(191)192)151(262)223-123(77-100-81-195-85-201-100)163(274)222-122(76-99-41-49-104(240)50-42-99)161(272)217-118(71-88(6)7)160(271)225-125(79-134(184)243)165(276)218-119(72-89(8)9)166(277)229-142(90(10)11)172(283)230-143(95(16)236)173(284)213-108(31-23-65-199-180(193)194)148(259)209-110(51-56-132(182)241)153(264)206-105(28-20-62-196-177(187)188)149(260)215-115(144(186)255)73-96-35-43-101(237)44-36-96/h35-50,81,85-95,105-131,141-143,234-240H,17-34,51-80,82-84,181,185H2,1-16H3,(H2,182,241)(H2,183,242)(H2,184,243)(H2,186,255)(H,195,201)(H,200,279)(H,202,267)(H,203,268)(H,204,258)(H,205,244)(H,206,264)(H,207,269)(H,208,275)(H,209,259)(H,210,265)(H,211,280)(H,212,281)(H,213,284)(H,214,282)(H,215,260)(H,216,266)(H,217,272)(H,218,276)(H,219,278)(H,220,261)(H,221,273)(H,222,274)(H,223,262)(H,224,270)(H,225,271)(H,226,263)(H,227,256)(H,228,257)(H,229,277)(H,230,283)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t91-,92-,93-,94-,95+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,141-,142-,143-/m0/s1
InChIKey
AUHJXHCVECGTKR-DQNUUZSMSA-N
Chemical Structure
2D Structure
2D structure of Peptide yy (3-36)
CAS: 123583-37-9
CID: 59404585
Formula: C180H279N53O54
MW: 4049
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight4049
XLogP3-14.9
Hydrogen Bond Donor Count61
Hydrogen Bond Acceptor Count61
Rotatable Bond Count133
Exact Mass4048.0748504
Monoisotopic Mass4047.0714956
Topological Polar Surface Area1760 Ų
Heavy Atom Count287
Formal Charge0
Complexity9890
Isotope Atom Count0
Defined Atom Stereocenter Count35
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
4018880.1000Peptide YY (3-36) (human)
PYY-4400-VPeptide YY (Human, 3-36)
A1115-5Peptide YY(3-36), PYY, human
HY-P10000-01Peptide YY (PYY) (3-36), Human
PE-55293-01Peptide YY (3-36) PYY Human
059-02Peptide YY (PYY) (3-36) (Human)
E-PP-1749-01Peptide YY (3-36), PYY, human
MBS3618001-01Peptide YY(PYY)(3-36), human
1618/500UPeptide YY (3-36)
350338Peptide YY [3-36]

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