NEUROKININ B

The Neurokinin B (swinespinal cord) (9CI), with the CAS registry number of 86933-75-7, is also known as Neuromedin K and Neurokinin K. Neurokinin B is a tachykinin peptide. It is found in higher concentration in pregnant women suffering pre-eclampsia and can bind the immune-cloaking molecule phosphocholine. It belongs to the product categories of Peptide; Tachykinin receptor. This chemical's molecular formula is C₅₅H₇₉N₁₃O₁₄S₂ and molecular weight is 1210.42. What's more, its IUPAC name is 3-Amino-4-[[1-[[1-[[1-[[1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-hydroxy-1, 4-dioxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid. This chemical's Classification Code is Neurotransmitter Agents. Besides, its Storage Temp is -20 ℃. It must be stored in airtight containers and placed in a dry place.

Physical properties about Neurokinin B (swinespinal cord) (9CI) are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 0.35; (4)ACD/LogD (pH 7.4): -0.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.57; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 27; (10)#H bond donors: 16; (11)#Freely Rotating Bonds: 39; (12)Polar Surface Area: 327.36 Å²; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 311.73 cm³; (15)Molar Volume: 921.6 cm³; (16)Polarizability: 123.58×10^-24 cm³; (17)Surface Tension: 60.4 dyne/cm; (18)Density: 1.313 g/cm³; (19)Flash Point: 949.3 °C; (20)Enthalpy of Vaporization: 271.41 kJ/mol; (21)Boiling Point: 1646 °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(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)O)CCSC)Cc1cncn1)CC(=O)O)Cc2ccccc2)Cc3ccccc3)C(C)C)CC(C)C)CCSC
(2) InChI: InChI=1/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)
(3) InChIKey: NHXYSAFTNPANFK-UHFFFAOYAU