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65985-66-2

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Basic Information
CAS No.: 65985-66-2
Name: DNP-L -PROLYL-L -LEUCYLGLYCINE
Molecular Structure:
Molecular Structure of 65985-66-2 (DNP-L -PROLYL-L -LEUCYLGLYCINE)
Formula: C19H25N5O8
Molecular Weight: 451.436
Synonyms: Glycine,N-[N-[1-(2,4-dinitrophenyl)-L-prolyl]-L-leucyl]-;
EINECS: 265-993-7
Density: 1.39 g/cm3
Boiling Point: 793.7 °C at 760 mmHg
Flash Point: 433.8 °C
PSA: 197.36000
LogP: 3.99550
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Specification

The Glycine,1-(2,4-dinitrophenyl)-L-prolyl-L-leucyl-, with the CAS registry number 65985-66-2, is also known as N-(N-(1-(2,4-Dinitrophenyl)-L-prolyl)-L-leucyl)glycine. Its EINECS number is 265-993-7. This chemical's molecular formula is C19H25N5O8 and molecular weight is 451.4305. Its IUPAC name is called 2-[[(2S)-2-[[(2S)-1-(2,4-dinitrophenyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]acetic acid.

Physical properties of Glycine,1-(2,4-dinitrophenyl)-L-prolyl-L-leucyl-: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.81; (4)ACD/LogD (pH 7.4): -0.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.98; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 13; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 109.88 cm3; (14)Molar Volume: 324.5 cm3; (15)Surface Tension: 64.1 dyne/cm; (16)Density: 1.39 g/cm3; (17)Flash Point: 433.8 °C; (18)Enthalpy of Vaporization: 121.06 kJ/mol; (19)Boiling Point: 793.7 °C at 760 mmHg; (20)Vapour Pressure: 1.47E-26 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CNC(=O)[C@@H](NC(=O)[C@H]2N(c1c(cc([N+]([O-])=O)cc1)[N+]([O-])=O)CCC2)CC(C)C
(2)InChI: InChI=1/C19H25N5O8/c1-11(2)8-13(18(27)20-10-17(25)26)21-19(28)15-4-3-7-22(15)14-6-5-12(23(29)30)9-16(14)24(31)32/h5-6,9,11,13,15H,3-4,7-8,10H2,1-2H3,(H,20,27)(H,21,28)(H,25,26)/t13-,15-/m0/s1
(3)InChIKey: AKFPJMPDELFVBU-ZFWWWQNUBA