L-Methionine,L-isoleucyl-L-isoleucylglycyl-L-leucyl- (149385-65-9)

The systematic name of Isoleucinyl-isoleucinyl-glycinyl-leucinyl-methionine is L-isoleucyl-L-isoleucylglycyl-L-leucyl-L-methionine. With the CAS registry number 149385-65-9, it is also named as H-Ile-Ile-Gly-Leu-Met-OH. The product's category is peptide. Besides, its molecular formula is C₂₅H₄₇N₅O₆S and its molecular weight is 545.74. In addition, this chemical should be stored at the temperature of -20 °C.

The other characteristics of Isoleucinyl-isoleucinyl-glycinyl-leucinyl-methionine can be summarized as: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4; (8)ACD/KOC (pH 7.4): 4; (9)H bond acceptors: 11; (10)H bond donors: 7; (11)Freely Rotating Bonds: 19; (12)Polar Surface Area: 205.02 Å²; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 145.176 cm³; (15)Molar Volume: 479.856 cm³; (16)Polarizability: 57.552×10^-24cm³; (17)Surface Tension: 44.884 dyne/cm; (18)Density: 1.137 g/cm³; (19)Flash Point: 477.771 °C; (20)Enthalpy of Vaporization: 136.641 kJ/mol; (21)Boiling Point: 866.382 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(N[C@H](C(=O)O)CCSC)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)[C@@H](C)CC)CC(C)C
(2)InChI:InChI=1/C25H47N5O6S/c1-8-15(5)20(26)23(33)30-21(16(6)9-2)24(34)27-13-19(31)28-18(12-14(3)4)22(32)29-17(25(35)36)10-11-37-7/h14-18,20-21H,8-13,26H2,1-7H3,(H,27,34)(H,28,31)(H,29,32)(H,30,33)(H,35,36)/t15-,16-,17-,18-,20-,21-/m0/s1
(3)InChIKey:ZMDGLWRNBGRYQB-ZKHIMWLXBA
(4)Std. InChI:InChI=1S/C25H47N5O6S/c1-8-15(5)20(26)23(33)30-21(16(6)9-2)24(34)27-13-19(31)28-18(12-14(3)4)22(32)29-17(25(35)36)10-11-37-7/h14-18,20-21H,8-13,26H2,1-7H3,(H,27,34)(H,28,31)(H,29,32)(H,30,33)(H,35,36)/t15-,16-,17-,18-,20-,21-/m0/s1
(5)Std. InChIKey:ZMDGLWRNBGRYQB-ZKHIMWLXSA-N