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17355-09-8

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Basic Information
CAS No.: 17355-09-8
Name: H-TYR-VAL-OH
Molecular Structure:
Molecular Structure of 17355-09-8 (H-TYR-VAL-OH)
Formula: C14H20N2O4
Molecular Weight: 280.32
Synonyms: L-Valine,N-L-tyrosyl-;Valine, N-L-tyrosyl- (7CI);Valine, N-L-tyrosyl-, L- (8CI);433:PN: WO2005081628 SEQID: 435 claimed protein;46: PN: WO03052099 PAGE: 84claimed protein;L-Tyrosyl-L-valine;Tyrosylvaline;
Density: 1.245 g/cm3
Boiling Point: 572 °C at 760 mmHg
Flash Point: 299.7 °C
PSA: 112.65000
LogP: 1.57860
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Specification

The L-Valine, L-tyrosyl- is an organic compound with the formula C14H20N2O4. The IUPAC name of this chemical is 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoic acid. With the CAS registry number 17355-09-8, it is also named as L-Tyrosyl-L-valine. The product's category is Amino Acid Derivatives.

Physical properties about L-Valine, L-tyrosyl- are: (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.72; (4)ACD/LogD (pH 7.4): -1.88; (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: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 66.84 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 74.08 cm3; (15)Molar Volume: 225 cm3; (16)Polarizability: 29.36×10-24cm3; (17)Surface Tension: 55.2 dyne/cm; (18)Density: 1.245 g/cm3; (19)Flash Point: 299.7 °C; (20)Enthalpy of Vaporization: 90.22 kJ/mol; (21)Boiling Point: 572 °C at 760 mmHg; (22)Vapour Pressure: 6.35E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH3+])C(C)C
(2)InChI: InChI=1/C14H20N2O4/c1-8(2)12(14(19)20)16-13(18)11(15)7-9-3-5-10(17)6-4-9/h3-6,8,11-12,17H,7,15H2,1-2H3,(H,16,18)(H,19,20)/t11-,12-/m0/s1
(3)InChIKey: OYOQKMOWUDVWCR-RYUDHWBXBE
(4)Std. InChI: InChI=1S/C14H20N2O4/c1-8(2)12(14(19)20)16-13(18)11(15)7-9-3-5-10(17)6-4-9/h3-6,8,11-12,17H,7,15H2,1-2H3,(H,16,18)(H,19,20)/t11-,12-/m0/s1
(5)Std. InChIKey: OYOQKMOWUDVWCR-RYUDHWBXSA-N