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14287-21-9

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Basic Information
CAS No.: 14287-21-9
Name: AC-PHE-LYS-OH
Article Data: 2
Molecular Structure:
Molecular Structure of 14287-21-9 (AC-PHE-LYS-OH)
Formula: C17H25N3O4
Molecular Weight: 335.4
Synonyms: N-Acetyl-phe-lys;
Density: 1.19 g/cm3
Boiling Point: 681.2 °C at 760 mmHg
Flash Point: 365.8 °C
PSA: 121.52000
LogP: 1.91430
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Specification

The L-Lysine,N-acetyl-L-phenylalanyl-, with the CAS registry number of 14287-21-9, is also known as N-Acetyl-phe-lys. Its molecular formula is C17H25N3O4 and molecular weight is 335.4. What's more, its IUPAC name is (2S)-2-[[(2S)-2-Acetamido-3-phenylpropanoyl]amino]-6-aminohexanoic acid.

Physical properties about the L-Lysine,N-acetyl-L-phenylalanyl- are: (1)ACD/LogP: 0.58; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.92; (4)ACD/LogD (pH 7.4): -1.92; (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: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 70.16 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 89.76 cm3; (15)Molar Volume: 281.7 cm3; (16)Surface Tension: 51.1 dyne/cm; (17)Density: 1.19 g/cm3; (18)Flash Point: 365.8 °C; (19)Enthalpy of Vaporization: 104.99 kJ/mol; (20)Boiling Point: 681.2 °C at 760 mmHg; (21)Vapour Pressure: 1.72E-19 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](NC(=O)C)Cc1ccccc1)CCCCN
(2) InChI: InChI=1/C17H25N3O4/c1-12(21)19-15(11-13-7-3-2-4-8-13)16(22)20-14(17(23)24)9-5-6-10-18/h2-4,7-8,14-15H,5-6,9-11,18H2,1H3,(H,19,21)(H,20,22)(H,23,24)/t14-,15-/m0/s1
(3) InChIKey: AVXRNUMVGRLMBL-GJZGRUSLBV