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PSTi8

CAT: 0931-T81359-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T81359-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2434805-63-5
Target
Reactive Oxygen Species
Related Pathways
Immunology/Inflammation, NF-κB, Metabolism
Bioactivity
PSTi8, also known as Pancreastatin Inhibitor 8, is a biologically active peptide.
Smiles
[C@@H](CC1=CN=CN1)(NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC(CNC([C@@H](NC(=O)[C@@H]2CCCN2)CCC(O)=O)=O)=O)CCCCN)=O)=O)CCC(O)=O)=O)CCC(N)=O)=O)CCC(O)=O)=O)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H]([C@H](C)C)C(N)=O)=O)C)=O)CCSC)=O)CCC(O)=O)=O)CCC(O)=O)=O)CCC(O)=O)=O)CCC(O)=O)=O)CCC(O)=O)=O)CCCCN)=O)CCC(N)=O)=O)CCC(N)=O)=O)CO)=O
Molecular Formula
C98H155N29O41S
Molecular Weight
2427.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Pro-Glu-Gly-Lys-Gly-Glu-Gln-Glu-His-Ser-Gln-Gln-Lys-Glu-Glu-Glu-Glu-Glu-Met-Ala-Val-NH2
CAS Number2434805-63-5
PubChem CID171361128
IUPAC Name(4S)-5-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[2-[[(2S)-6-amino-2-[[2-[[(2S)-4-carboxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]-5-oxopentanoic acid
Molecular FormulaC98H155N29O41S
Molecular Weight2427.5
XLogP-21.2
Topological Polar Surface Area1190
Hydrogen Bond Donor Count37
Hydrogen Bond Acceptor Count46
Rotatable Bond Count89
Heavy Atom Count169
Formal Charge0
Complexity5440
SMILES
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2
InChI
InChI=1S/C98H155N29O41S/c1-46(2)79(80(104)150)127-81(151)47(3)110-85(155)63(35-39-169-4)124-95(165)61(22-33-77(146)147)121-94(164)60(21-32-76(144)145)120-93(163)59(20-31-75(142)143)119-92(162)58(19-30-74(140)141)118-91(161)57(18-29-73(138)139)117-86(156)51(11-6-8-37-100)113-88(158)54(13-24-66(101)129)116-90(160)56(15-26-68(103)131)123-98(168)65(44-128)126-97(167)64(40-48-41-105-45-109-48)125-96(166)62(23-34-78(148)149)122-89(159)55(14-25-67(102)130)115-87(157)53(17-28-72(136)137)112-70(133)43-107-82(152)50(10-5-7-36-99)111-69(132)42-108-83(153)52(16-27-71(134)135)114-84(154)49-12-9-38-106-49/h41,45-47,49-65,79,106,128H,5-40,42-44,99-100H2,1-4H3,(H2,101,129)(H2,102,130)(H2,103,131)(H2,104,150)(H,105,109)(H,107,152)(H,108,153)(H,110,155)(H,111,132)(H,112,133)(H,113,158)(H,114,154)(H,115,157)(H,116,160)(H,117,156)(H,118,161)(H,119,162)(H,120,163)(H,121,164)(H,122,159)(H,123,168)(H,124,165)(H,125,166)(H,126,167)(H,127,151)(H,134,135)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H,144,145)(H,146,147)(H,148,149)/t47-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,79-/m0/s1
InChIKey
YSMMMXLILCNFPJ-GCMRIOCASA-N
Chemical Structure
2D Structure
2D structure of H-Pro-Glu-Gly-Lys-Gly-Glu-Gln-Glu-His-Ser-Gln-Gln-Lys-Glu-Glu-Glu-Glu-Glu-Met-Ala-Val-NH2
CAS: 2434805-63-5
CID: 171361128
Formula: C98H155N29O41S
MW: 2427.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2427.5
XLogP3-21.2
Hydrogen Bond Donor Count37
Hydrogen Bond Acceptor Count46
Rotatable Bond Count89
Exact Mass2427.0689515
Monoisotopic Mass2426.0655966
Topological Polar Surface Area1190 Ų
Heavy Atom Count169
Formal Charge0
Complexity5440
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-P5420PSTi8
053-36PSTi8 / Pancreastatin (24-44) (Human)

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