ANGIOTENSIN II ANTIPEPTIDE

The CAS registry number of L-Valine, L-a-glutamylglycyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl- is 121379-63-3. The systematic name is L-α-glutamylglycyl-L-valyl-L-tyrosyl-L-valyl-3-(4H-imidazol-4-yl)-L-alanyl-L-prolyl-L-valine. In addition, the molecular formula is C₄₂H₆₂N₁₀O₁₂ and the molecular weight is 899.01. What's more, it belongs to the class of Peptide. It is encoded by human mRNA complementary to the mRNA for human angiotensin II.

Physical properties about L-Valine, L-a-glutamylglycyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl- are: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -1.57; (4)ACD/LogD (pH 7.4): -2.24; (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: 22; (10)#H bond donors: 11; (11)#Freely Rotating Bonds: 26; (12)Polar Surface Area: 231.96 Å²; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 227.89 cm³; (15)Molar Volume: 627.7 cm³; (16)Polarizability: 90.34 ×10^-24cm³; (17)Surface Tension: 58.2 dyne/cm; (18)Density: 1.43 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC[C@H](N)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CCC1)CC/2/N=C\N=C\2)C(C)C)Cc3ccc(O)cc3)C(C)C
(2)InChI: InChI=1/C42H62N10O12/c1-21(2)33(49-31(54)19-45-36(57)27(43)13-14-32(55)56)39(60)47-28(16-24-9-11-26(53)12-10-24)37(58)50-34(22(3)4)40(61)48-29(17-25-18-44-20-46-25)41(62)52-15-7-8-30(52)38(59)51-35(23(5)6)42(63)64/h9-12,18,20-23,25,27-30,33-35,53H,7-8,13-17,19,43H2,1-6H3,(H,45,57)(H,47,60)(H,48,61)(H,49,54)(H,50,58)(H,51,59)(H,55,56)(H,63,64)/t25?,27-,28-,29-,30-,33-,34-,35-/m0/s1
(3)InChIKey: IBKGTULCXOYHFE-SEQYDFDVBE