Saralasin

The Saralasin, with the CAS registry number of 34273-10-4, is also known as 1-Sar-5-Val-8-Ala-angiotensin II and Aralasin. It is a competitive inhibitor of Angiotensin II. And it is an Angiotensin II analogue, containing Sarcosine-1 and Alanine-8, hence the name (Sarcosine, Alanine, Angiotensin). It belongs to the product category of Angiotensin. This chemical's molecular formula is C₄₂H₆₅N₁₃O₁₀ and molecular weight is 912.05. What's more, its IUPAC name is 2-[[1-[2-[[2-[[2-[[2-[[5-(Diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid. This chemical's classification codes are Angiotensin II Type 1 Receptor Blockers; Angiotensin-converting Enzyme Inhibitors; Antihypertensive Agents; Cardiovascular Agents; Enzyme Inhibitors; Protease Inhibitors. Besides, it should be stored in airtight containers at -20 °C.

Physical properties about Saralasin are: (1)ACD/LogP: -0.27; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -4.59; (4)ACD/LogD (pH 7.4): -3.34; (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: 23; (10)#H bond donors: 14; (11)#Freely Rotating Bonds: 26; (12)Polar Surface Area: 217.6 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 234.21 cm³; (15)Molar Volume: 639.3 cm³; (16)Surface Tension: 58.6 dyne/cm; (17)Density: 1.42 g/cm³.

Uses: it can be used as the medicine of the high blood pressure differential diagnosis. And it has significant blood pressure lowering function to hyperpietic caused by Angiotensin II at high level.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC)CCC/N=C(\N)N)C(C)C)Cc1ccc(O)cc1)C(C)C)Cc2cncn2)CCC3)C
(2) InChI: InChI=1/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1
(3) InChIKey: PFGWGEPQIUAZME-NXSMLHPHBA