InChI: | InChI=1/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)/t6-,7?/m0/s1 |
Specification: |
The cas register number of L-Alanyl-L-leucine is 3303-34-2. It also can be called as L-Leucine, L-alanyl- and the IUPAC Name about this chemical is 2-(2-aminopropanoylamino)-4-methylpentanoic acid. It belongs to the following product categories, such as Dipeptides, Dipeptides and Tripeptides, Peptides and so on.
Physical properties about L-Alanyl-L-leucine are: (1)ACD/LogP: 0.25; (2)ACD/LogD (pH 5.5): -2.25; (3)ACD/LogD (pH 7.4): -2.32; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 49.85Å2; (12)Index of Refraction: 1.485; (13)Molar Refractivity: 52.34 cm3; (14)Molar Volume: 182.4 cm3; (15)Polarizability: 20.75x10-24cm3; (16)Surface Tension: 42.6 dyne/cm; (17)Enthalpy of Vaporization: 72.63 kJ/mol; (18)Boiling Point: 409.7 °C at 760 mmHg; (19)Vapour Pressure: 7.34E-08 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](N)C
(2)InChI: InChI=1/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)/t6-,7-/m0/s1
(3)InChIKey: RDIKFPRVLJLMER-BQBZGAKWBX
(4)Std. InChI: InChI=1S/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)/t6-,7-/m0/s1
(5)Std. InChIKey: RDIKFPRVLJLMER-BQBZGAKWSA-N
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