ANGIOTENSIN I/II (3-8)

The 3-8-Angiotensin II,5-L-isoleucine-, with the CAS registry number of 23025-68-5, is also known as (Isoleucine5)-angiotensin II hexapeptide. It belongs to the product categories of Peptide; Angiotensins; AngiotensinsPeptides for Cell Biology; Neuropeptides; Peptides for Cell Biology; Angiotensin. This chemical's molecular formula is C₄₀H₅₄N₈O₈ and molecular weight is 774.91. What's more, its IUPAC name is (2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-Amino-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid. In addition, it must be stored at -20 °C.

Physical properties about the 3-8-Angiotensin II,5-L-isoleucine- are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 0.04; (4)ACD/LogD (pH 7.4): 0.74; (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): 3.81; (9)#H bond acceptors: 16; (10)#H bond donors: 9; (11)#Freely Rotating Bonds: 21; (12)Polar Surface Area: 158.14 Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 206.32 cm³; (15)Molar Volume: 602.5 cm³; (16)Surface Tension: 62.8 dyne/cm; (17)Density: 1.286 g/cm³; (18)Flash Point: 673.3 °C; (19)Enthalpy of Vaporization: 184.65 kJ/mol; (20)Boiling Point: 1189.7 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

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](N)C(C)C)Cc1ccc(O)cc1)[C@@H](C)CC)Cc2cncn2)CCC3)Cc4ccccc4
(2) InChI: InChI=1/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
(3) InChIKey: QSBGWDDCOJYQGY-KOQODJNWBZ