Vasopressin

The Vasopressin, with the CAS registry number 11000-17-2, is also known as 3-(Phenylalanine)-8-lysine oxytocin. Its EINECS number is 234-236-2. This chemical's molecular formula is C₄₆H₆₅N₁₃O₁₂S₂ and molecular weight is 1056.22. What's more, its systematic name is 1-{[(4R,7S,10S,13R,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-p rolyl-L-lysylglycinamide. Its classification codes are: (1)AntidiureticAgents; (2)CardiovascularAgents; (3)Coagulants; (4)HematologicAgents; (5)Hemostatics; (6)NatriureticAgents; (7)VasoconstrictorAgents. Vasopressin is a neurohypophysial hormone found in most mammals, including humans. It is a peptide hormone that controls the reabsorption of molecules in the tubules of the kidneys by affecting the tissue's permeability. It also increases peripheral vascular resistance, which in turn increases arterial blood pressure.

Physical properties of Vasopressin are: (1)# of Rule of 5 Violations: 3; (2)ACD/BCF (pH 5.5): 1; (3)ACD/KOC (pH 5.5): 1; (4)#H bond acceptors: 25; (5)#H bond donors: 18; (6)#Freely Rotating Bonds: 22; (7)Polar Surface Area: 476.15 Å²; (8)Index of Refraction: 1.58; (9)Molar Refractivity: 268.35 cm³; (10)Molar Volume: 805.7 cm³; (11)Surface Tension: 57 dyne/cm; (12)Density: 1.31 g/cm³; (13)Flash Point: 927.7 °C; (14)Enthalpy of Vaporization: 261.29 kJ/mol; (15)Boiling Point: 1610.4 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]4CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N4
(2)InChI: InChI=1S/C46H65N13O12S2/c47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34/h1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69)/t28-,29-,30-,31-,32+,33-,34-,35-/m0/s1
(3)InChIKey: BJFIDCADFRDPIO-XHQHHRCCSA-N

The toxicity data is as follows: