Buccalin

This chemical is called Buccalin, and its CAS registry number is 116844-51-0. With the molecular formula of C₄₅H₇₂N₁₂O₁₅S, its molecular weight is 1053.19. its product category is Peptide. It's colocalized with the small cardioactive peptides to neuron B15 and bioactive at the ARC neuromuscular junction. In addition, it should be stored at -15°C.

Other characteristics of the Buccalin can be summarised as followings: (1)ACD/LogP: -1.34; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -4; (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: 27; (10)#H bond donors: 17; (11)#Freely Rotating Bonds: 37; (12)Polar Surface Area: 463.17 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 262.781 cm³; (15)Molar Volume: 804.206 cm³; (16)Polarizability: 104.175×10^-24cm³; (17)Surface Tension: 59.018 dyne/cm; (18)Density: 1.31 g/cm³; (19)Flash Point: 905.712 °C; (20)Enthalpy of Vaporization: 256.761 kJ/mol; (21)Boiling Point: 1573.983 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(N)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)CCSC)CC(=O)O)CO)CC(C)C)C)Cc1ccccc1)CO)CC(C)C
2.InChI: InChI=1/C45H72N12O15S/c1-23(2)14-28(38(47)65)52-36(62)20-48-35(61)19-49-40(67)32(21-58)56-43(70)30(16-26-10-8-7-9-11-26)53-39(66)25(5)50-42(69)29(15-24(3)4)54-45(72)33(22-59)57-44(71)31(17-37(63)64)55-41(68)27(12-13-73-6)51-34(60)18-46/h7-11,23-25,27-33,58-59H,12-22,46H2,1-6H3,(H2,47,65)(H,48,61)(H,49,67)(H,50,69)(H,51,60)(H,52,62)(H,53,66)(H,54,72)(H,55,68)(H,56,70)(H,57,71)(H,63,64)/t25-,27-,28-,29-,30-,31-,32-,33-/m0/s1
3.InChIKey: UAYHBJIRVVTXIJ-XSTSSERXBP