The L-Aspartic acid,L-lysyl- is an organic compound with the formula C10H19N3O5. The systematic name of this chemical is 2-(lysylamino)butanedioate. With the CAS registry number 20556-18-7, it is also named as aspartic acid, lysyl-, ion(2-). The product's categories are Amino Acid Derivatives; Dipeptides; Dipeptides and Tripeptides; Peptides.
Physical properties about L-Aspartic acid,L-lysyl- are: (1) # of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 8; (7)#H bond donors: 7; (8)#Freely Rotating Bonds: 11; (9)Polar Surface Area: 161.4 Å2; (10)Index of Refraction: 1.543; (11)Molar Refractivity: 62.11 cm3; (12)Molar Volume: 196.8 cm3; (13)Polarizability: 24.62×10-24cm3; (14)Surface Tension: 65.1 dyne/cm; (15)Density: 1.326 g/cm3; (16)Flash Point: 281.1 °C; (17)Enthalpy of Vaporization: 89.56 kJ/mol; (18)Boiling Point: 541.1 °C at 760 mmHg; (19)Vapour Pressure: 3.82E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C(CCN)CC(C(=O)NC(CC(=O)[O-])C(=O)[O-])N
(2)InChI: InChI=1/C10H19N3O5/c11-4-2-1-3-6(12)9(16)13-7(10(17)18)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/p-2
(3)InChIKey: CIOWSLJGLSUOME-NUQVWONBAG
(4)Std. InChI: InChI=1S/C10H19N3O5/c11-4-2-1-3-6(12)9(16)13-7(10(17)18)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/p-2
(5)Std. InChIKey: CIOWSLJGLSUOME-UHFFFAOYSA-L
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