The L-Leucine,L-alanyl-L-leucyl-L-alanyl-, with the CAS registry number 84676-48-2, is also known as L-Leucine,N-[N-(N-L-alanyl-L-leucyl)-L-alanyl]-. It belongs to the product categories of Peptide; Other Peptides; Peptides and Proteins; Peptides for Cell Biology. This chemical's molecular formula is C18H34N4O5 and molecular weight is 386.4864. What's more, its systematic name is (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Aminopropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoic acid.
Physical properties about L-Leucine,L-alanyl-L-leucyl-L-alanyl- are: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.95; (4)ACD/LogD (pH 7.4): -1.07; (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: 9; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 90.47 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 101.16 cm3; (15)Molar Volume: 344 cm3; (16)Surface Tension: 43.2 dyne/cm; (17)Density: 1.123 g/cm3; (18)Flash Point: 374.5 °C; (19)Enthalpy of Vaporization: 111 kJ/mol; (20)Boiling Point: 695.6 °C at 760 mmHg; (21)Vapour Pressure: 3.49E-21 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N[C@H](C(=O)O)CC(C)C)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC(C)C)C
(2) InChI: InChI=1/C18H34N4O5/c1-9(2)7-13(21-15(23)11(5)19)17(25)20-12(6)16(24)22-14(18(26)27)8-10(3)4/h9-14H,7-8,19H2,1-6H3,(H,20,25)(H,21,23)(H,22,24)(H,26,27)/t11-,12-,13-,14-/m0/s1
(3) InChIKey: KQRHTCDQWJLLME-XUXIUFHCBR
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