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Enterostatin

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Name

Enterostatin

EINECS N/A
CAS No. 117830-79-2 Density 1.54 g/cm3
PSA 224.04000 LogP -0.18670
Solubility N/A Melting Point N/A
Formula C21H36N8O6 Boiling Point N/A
Molecular Weight 496.56 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 117830-79-2 (ENTEROSTATIN, HUMAN) Hazard Symbols N/A
Synonyms

L-Arginine,N2-[1-[N-(1-L-alanyl-L-prolyl)glycyl]-L-prolyl]-;Enterostatin (human);Enterostatin (mouse);Humanenterostatin;Enterostatin, human;

 

Enterostatin Specification

The Enterostatin, with the CAS registry number of 117830-79-2, is also known as Enterostatin (human). It belongs to the product categories of Peptide; Enterostatin Peptides for Cell Biology; Other Obesity Peptides Obesity Research; Cytokines Growth Factors and Hormones (Obesity); Hormones; Obesity Peptides; Obesity Research; Other Obesity Research Products; Various Peptides. This chemical's molecular formula is C21H36N8O6 and molecular weight is 496.56. What's more, its IUPAC name is (2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-Aminopropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid. Besides, Enterostatin is a pentapeptide derived from a proenzyme in the gastrointestinal tract called procolipase. It reduces food intake, in particular fat intake, when given peripherally or into the brain. And it should be stored at -20 °C.

Physical properties about Enterostatin are: (1)ACD/LogP: -2.37; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -5.86; (4)ACD/LogD (pH 7.4): -5.69; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 14; (10)#H bond donors: 9; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 129.62 Å2; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 121.97 cm3; (15)Molar Volume: 322 cm3; (16)Surface Tension: 69.8 dyne/cm; (17)Density: 1.54 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N[C@H](C(=O)O)CCC/N=C(\N)N)[C@H]2N(C(=O)CNC(=O)[C@H]1N(C(=O)[C@@H](N)C)CCC1)CCC2
(2) InChI: InChI=1/C21H36N8O6/c1-12(22)19(33)29-10-4-6-14(29)17(31)26-11-16(30)28-9-3-7-15(28)18(32)27-13(20(34)35)5-2-8-25-21(23)24/h12-15H,2-11,22H2,1H3,(H,26,31)(H,27,32)(H,34,35)(H4,23,24,25)/t12-,13-,14-,15-/m0/s1
(3) InChIKey: ITZMJCSORYKOSI-AJNGGQMLBF

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