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3918-92-1

Basic Information
CAS No.: 3918-92-1
Name: H-VAL-PHE-OH
Article Data: 5
Molecular Structure:
Molecular Structure of 3918-92-1 (H-VAL-PHE-OH)
Formula: C14H20N2O3
Molecular Weight: 264.324
Synonyms: Alanine,3-phenyl-N-L-valyl-, L- (7CI,8CI);Alanine, 3-phenyl-N-valyl- (6CI);L-Phenylalanine, N-L-valyl-;19: PN: US20090239809 SEQID: 19 claimed protein;L-Valyl-L-phenylalanine;Valylphenylalanine;
Density: 1.166 g/cm3
Boiling Point: 493.2 °C at 760 mmHg
Flash Point: 252.1 °C
PSA: 92.42000
LogP: 1.87300
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Specification

The L-Phenylalanine,L-valyl- is an organic compound with the formula C14H20N2O3. The IUPAC name of this chemical is 2-[(2-amino-3-methylbutanoyl)amino]-3-phenylpropanoic acid. With the CAS registry number 3918-92-1, it is also named as L-Valyl-L-phenylalanine.

Physical properties about L-Phenylalanine,L-valyl- are: (1)ACD/LogP: 1.57; (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: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 7; (9)Polar Surface Area: 57.61 Å2; (10)Index of Refraction: 1.549; (11)Molar Refractivity: 72.19 cm3; (12)Molar Volume: 226.6 cm3; (13)Polarizability: 28.62×10-24cm3; (14)Surface Tension: 48.6 dyne/cm; (15)Density: 1.166 g/cm3; (16)Flash Point: 252.1 °C; (17)Enthalpy of Vaporization: 80.07 kJ/mol; (18)Boiling Point: 493.2 °C at 760 mmHg; (19)Vapour Pressure: 1.52E-10 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]([NH3+])C(C)C)Cc1ccccc1
(2)InChI: InChI=1/C14H20N2O3/c1-9(2)12(15)13(17)16-11(14(18)19)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1
(3)InChIKey: GJNDXQBALKCYSZ-RYUDHWBXBM
(4)Std. InChI: InChI=1S/C14H20N2O3/c1-9(2)12(15)13(17)16-11(14(18)19)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1
(5)Std. InChIKey: GJNDXQBALKCYSZ-RYUDHWBXSA-N