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CAS No.: | 7763-65-7 |
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Name: | H-HIS-LEU-OH |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C12H20N4O3 |
Molecular Weight: | 268.316 |
Synonyms: | L-Leucine,N-L-histidyl-;Leucine, N-L-histidyl-, L- (8CI);Leucine, N-histidyl- (6CI);28: PN: WO2009143133 PAGE: 61 claimed protein;Histidylleucine;L-Histidyl-L-leucine;N-Histidylleucine; |
Density: | 1.249 g/cm3 |
Melting Point: | 217-220℃ |
Boiling Point: | 623 °C at 760 mmHg |
Flash Point: | 330.6 °C |
PSA: | 121.10000 |
LogP: | 0.98620 |
The L-Leucine, L-histidyl- is an organic compound with the formula C12H20N4O3. The IUPAC name of this chemical is 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoic acid. With the CAS registry number 7763-65-7, it is also named as Histidylleucine. The product's categories are Dipeptides; Dipeptides and Tripeptides; Peptides.
Physical properties about L-Leucine, L-histidyl- are: (1)ACD/LogP: -0.33; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 67.67 Å2; (11)Index of Refraction: 1.559; (12)Molar Refractivity: 69.35 cm3; (13)Molar Volume: 214.7 cm3; (14)Polarizability: 27.49×10-24cm3; (15)Surface Tension: 57.8 dyne/cm; (16)Density: 1.249 g/cm3; (17)Flash Point: 330.6 °C; (18)Enthalpy of Vaporization: 97.01 kJ/mol; (19)Boiling Point: 623 °C at 760 mmHg; (20)Vapour Pressure: 2.21E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(NC(=O)C(N)Cc1cncn1)CC(C)C
(2)InChI: InChI=1/C12H20N4O3/c1-7(2)3-10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)
(3)InChIKey: MMFKFJORZBJVNF-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C12H20N4O3/c1-7(2)3-10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)
(5)Std. InChIKey: MMFKFJORZBJVNF-UHFFFAOYSA-N