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CAS No.: | 117830-79-2 |
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Name: | ENTEROSTATIN, HUMAN |
Molecular Structure: | |
Formula: | C21H36N8O6 |
Molecular Weight: | 496.56 |
Synonyms: | L-Arginine,N2-[1-[N-(1-L-alanyl-L-prolyl)glycyl]-L-prolyl]-;Enterostatin (human);Enterostatin (mouse);Humanenterostatin;Enterostatin, human; |
Density: | 1.54 g/cm3 |
PSA: | 224.04000 |
LogP: | -0.18670 |
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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