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Minigastrin

CAT: 0931-TP3414-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TP3414-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60748-07-4
Target
Cholecystokinin Receptor
Related Pathways
GPCR/G Protein
Bioactivity
Minigastrin is an acidic peptide that is useful for studying peptide-peptide interactions.
Molecular Formula
C74H99N15O26S
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Minigastrin

Gastrin-14 is one of the primary forms of gastrin that is a 14-membered peptide consisting of Trp, Leu, Glu, Glu, Glu, Glu, Glu, Ala, Tyr, Gly, Trp, Met, Asp and Phe residues joined in sequence. It is a peptidyl amide and a gastrin.

CAS Number60748-07-4
PubChem CID57339539
IUPAC Name(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC85H109N17O27S
Molecular Weight1832.9
XLogP-2.6
Topological Polar Surface Area748
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count29
Rotatable Bond Count57
Heavy Atom Count130
Formal Charge0
Complexity3930
SMILES
C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N)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](CC(C)C)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)N
InChI
InChI=1S/C85H109N17O27S/c1-43(2)34-62(101-75(119)52(86)37-47-40-88-53-16-10-8-14-50(47)53)83(127)97-59(26-31-71(113)114)81(125)96-58(25-30-70(111)112)80(124)95-57(24-29-69(109)110)79(123)94-56(23-28-68(107)108)78(122)93-55(22-27-67(105)106)77(121)91-44(3)74(118)100-63(36-46-18-20-49(103)21-19-46)76(120)90-42-66(104)92-64(38-48-41-89-54-17-11-9-15-51(48)54)84(128)98-60(32-33-130-4)82(126)102-65(39-72(115)116)85(129)99-61(73(87)117)35-45-12-6-5-7-13-45/h5-21,40-41,43-44,52,55-65,88-89,103H,22-39,42,86H2,1-4H3,(H2,87,117)(H,90,120)(H,91,121)(H,92,104)(H,93,122)(H,94,123)(H,95,124)(H,96,125)(H,97,127)(H,98,128)(H,99,129)(H,100,118)(H,101,119)(H,102,126)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)/t44-,52-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1
InChIKey
SSBRJDBGIVUNDK-QOGDCIHTSA-N
Chemical Structure
2D Structure
2D structure of Minigastrin
CAS: 60748-07-4
CID: 57339539
Formula: C85H109N17O27S
MW: 1832.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1832.9
XLogP3-2.6
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count29
Rotatable Bond Count57
Exact Mass1831.73995244
Monoisotopic Mass1831.73995244
Topological Polar Surface Area748 Ų
Heavy Atom Count130
Formal Charge0
Complexity3930
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19144283-01Minigastrin
GTR18903784-01Minigastrin I
4011601.0001Minigastrin I (human)
abx265101-01Minigastrin I Peptide
E-PP-1545-01Minigastrin I, human
FM108882-01Minigastrin I tifluoroacetic acid
GTR18890181Human Minigastrin 1 peptide
PE-100260-01Minigastrin I (Human) Peptide
027-20Gastrin (4-17) / Minigastrin (Human)

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