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6707-71-7

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Basic Information
CAS No.: 6707-71-7
Name: PHT-GLY-LEU-OH
Molecular Structure:
Molecular Structure of 6707-71-7 (PHT-GLY-LEU-OH)
Formula: C16H18N2O5
Molecular Weight: 318.329
Synonyms: Leucine,N-(phthalimidoacetyl)- (6CI,7CI,8CI);NSC 98648;Pht-Gly-Leu-OH;Phthalyl-glycyl-L-leucine;
Density: 1.323 g/cm3
Boiling Point: 571.5 °C at 760 mmHg
Flash Point: 299.4 °C
PSA: 103.78000
LogP: 1.22690
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Specification

The IUPAC name of L-Leucine,N-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]- (9CI) is 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylpentanoic acid. With the CAS registry number 6707-71-7, it is also named as Phthalyl-glycyl-L-leucine. The product's category is Amino Acid Derivatives. In addition, its molecular formula is C16H18N2O5 and its molecular weight is 318.32.

The other characteristics of L-Leucine,N-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]- (9CI) can be summarized as: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 103.78 Å2; (7)Index of Refraction: 1.578; (8)Molar Refractivity: 79.87 cm3; (9)Molar Volume: 240.5 cm3; (10)Polarizability: 31.66×10-24cm3; (11)Surface Tension: 57.1 dyne/cm; (12)Density: 1.323 g/cm3; (13)Flash Point: 299.4 °C; (14)Enthalpy of Vaporization: 90.15 kJ/mol; (15)Boiling Point: 571.5 °C at 760 mmHg; (16)Vapour Pressure: 6.71E-14 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: CC(C)CC(C(=O)O)NC(=O)CN1C(=O)c2ccccc2C1=O
(2)InChI: InChI=1/C16H18N2O5/c1-9(2)7-12(16(22)23)17-13(19)8-18-14(20)10-5-3-4-6-11(10)15(18)21/h3-6,9,12H,7-8H2,1-2H3,(H,17,19)(H,22,23)/t12-/m0/s1
(3)InChIKey: KYHBJUCZZYAJIQ-LBPRGKRZBC
(4)Std. InChI: InChI=1S/C16H18N2O5/c1-9(2)7-12(16(22)23)17-13(19)8-18-14(20)10-5-3-4-6-11(10)15(18)21/h3-6,9,12H,7-8H2,1-2H3,(H,17,19)(H,22,23)/t12-/m0/s1
(5)Std. InChIKey: KYHBJUCZZYAJIQ-LBPRGKRZSA-N