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Tetragastrin

Molecular FormulaC₂₉H₃₆N₆O₆S
Average mass596.698 Da
Monoisotopic mass596.241699 Da
ChemSpider ID393888

- 4 of 4 defined stereocentres

More details:

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Tetragastrin [JAN]

0OL293AV80

1947-37-1 [RN]

CCK-4 [Wiki]

cholecystokinin fragment 30-33 amide

Cholecystokinin tetrapeptide [Wiki]

Gastrin tetrapeptide

L-Phenylalaninamide, L-tryptophyl-L-methionyl-L-α-aspartyl- [ACD/Index Name]

L-Tryptophyl-L-methionyl-L-α-asparagyl-L-phenylalaninamid [German] [ACD/IUPAC Name]

L-Tryptophyl-L-methionyl-L-α-aspartyl-L-phenylalaninamide [ACD/IUPAC Name]

More...

L-Tryptophyl-L-méthionyl-L-α-aspartyl-L-phénylalaninamide [French] [ACD/IUPAC Name]

MFCD00076492

Trp-Met-Asp-Phe amide

Trp-Met-Asp-Phe-NH

Carbobenzoxy-trp-met-asp-phe-amide

Gatratet

L-tryptophyl-L-methionyl-L-aspartylphenyl-Alaninamide

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid

(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-4-[[(1S)-2-amino-2-oxo-1-(phenylmethyl)ethyl]amino]-4-oxobutanoic acid

(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-[[(1S)-2-amino-2-oxo-1-(phenylmethyl)ethyl]amino]-4-oxo-butanoic acid

(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid

(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenyl-propan-2-yl]amino]-4-oxo-butanoic acid

(3S)-4-[[(1S)-2-amino-1-(benzyl)-2-keto-ethyl]amino]-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-(methylthio)butanoyl]amino]-4-keto-butyric acid

(S)-4-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)amino)-3-((S)-2-((S)-2-amino-3-(1H-indol-3-yl)propanamido)-4-(methylthio)butanamido)-4-oxobutanoic acid

35144-91-3 [RN]

5609-49-4 [RN]

BRD-K70369756-001-01-3

CCK-4 Acetate

CHOLECYSTOKININ FRAGMENT 30-33

cholecystokinin-4

GASTRIN (14-17) (HUMAN)

Gastrin tetrapeptide amide

Gastrin(14-17)(human)

h-trp-met-asp-phe-nh2

L-Phenylalaninamide, L-tryptophyl-L-methionyl-L-α-aspartyl-

L-Trp-L-Met-L-Asp-L-Phe-NH(2)

L-tryptophyl-L-methionyl-L-aspartyl-L-phenylalaninamide

Trp-Met-Asp-Phe-NH(2)

Trp-Met-Asp-Phe-NH{2}

UNII:0OL293AV80

UNII-0OL293AV80

WMDF-NH(2)

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 3246 [DBID]

NSC 620336 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Miscellaneous

Chemical Class:

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.3±0.1 g/cm³
Boiling Point:	1070.0±65.0 °C at 760 mmHg
Vapour Pressure:	0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization:	164.3±3.0 kJ/mol
Flash Point:	600.9±34.3 °C
Index of Refraction:	1.644
Molar Refractivity:	160.2±0.3 cm³
#H bond acceptors:	12
#H bond donors:	9
#Freely Rotating Bonds:	16
#Rule of 5 Violations:	3

ACD/LogP:	1.95
ACD/LogD (pH 5.5):	-0.78
ACD/BCF (pH 5.5):	1.00
ACD/KOC (pH 5.5):	1.00
ACD/LogD (pH 7.4):	-1.11
ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 7.4):	1.00
Polar Surface Area:	235 Å²
Polarizability:	63.5±0.5 10^-24cm³
Surface Tension:	66.0±3.0 dyne/cm
Molar Volume:	442.4±3.0 cm³

Click to predict properties on the Chemicalize site

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Tetragastrin

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