The CAS register number of L-Threonine,L-lysyl-D-prolyl- is 117027-34-6. It also can be called as L-Threonine,N-(1-L-lysyl-D-prolyl)- and the systematic name about this chemical is L-lysyl-D-prolyl-L-threonine. The molecular formula about this chemical is C15H28N4O5 and the molecular weight is 344.41. When you are using this chemical, do not breathe dust and avoid contact with skin and eyes.
Physical properties about L-Threonine,L-lysyl-D-prolyl- 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: 9; (7)#H bond donors: 7; (8)#Freely Rotating Bonds: 12; (9)Polar Surface Area: 158.98 Å2; (10)Index of Refraction: 1.56; (11)Molar Refractivity: 86.49 cm3; (12)Molar Volume: 267.2 cm3; (13)Polarizability: 34.28x10-24cm3; (14)Surface Tension: 64.2 dyne/cm; (15)Density: 1.288 g/cm3; (16)Flash Point: 371.9 °C; (17)Enthalpy of Vaporization: 115.84 kJ/mol; (18)Boiling Point: 691.3 °C at 760 mmHg; (19)Vapour Pressure: 4.12E-22 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@H](C(O)=O)C(C)O)[C@H]1CCCN1C(=O)[C@@H](N)CCCCN
(2)InChI: InChI=1/C15H28N4O5/c1-9(20)12(15(23)24)18-13(21)11-6-4-8-19(11)14(22)10(17)5-2-3-7-16/h9-12,20H,2-8,16-17H2,1H3,(H,18,21)(H,23,24)/t9?,10-,11+,12-/m0/s1
(3)InChIKey: LOGFVTREOLYCPF-YATPEIPIBP
(4)Std. InChI: InChI=1S/C15H28N4O5/c1-9(20)12(15(23)24)18-13(21)11-6-4-8-19(11)14(22)10(17)5-2-3-7-16/h9-12,20H,2-8,16-17H2,1H3,(H,18,21)(H,23,24)/t9?,10-,11+,12-/m0/s1
(5)Std. InChIKey: LOGFVTREOLYCPF-YATPEIPISA-N
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