The Glycine,L-phenylalanylglycyl-, with the CAS registry number 23576-42-3, has the systematic name of L-phenylalanylglycylglycine. It belongs to the following product categories: Dipeptides and Tripeptides; Peptides; Tripeptides. And the molecular formula of the chemical is C13H17N3O4.
The characteristics of Glycine,L-phenylalanylglycyl- are as followings: (1)ACD/LogP: 0.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.39; (4)ACD/LogD (pH 7.4): -2.9; (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: 8; (12)Polar Surface Area: 70.16 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 71.27 cm3; (15)Molar Volume: 215.3 cm3; (16)Polarizability: 28.25×10-24cm3; (17)Surface Tension: 59 dyne/cm; (18)Density: 1.296 g/cm3; (19)Flash Point: 357.4 °C; (20)Enthalpy of Vaporization: 103.06 kJ/mol; (21)Boiling Point: 667.3 °C at 760 mmHg; (22)Vapour Pressure: 1.02E-18 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1
(2)InChI: InChI=1/C13H17N3O4/c14-10(6-9-4-2-1-3-5-9)13(20)16-7-11(17)15-8-12(18)19/h1-5,10H,6-8,14H2,(H,15,17)(H,16,20)(H,18,19)/t10-/m0/s1
(3)InChIKey: NAXPHWZXEXNDIW-JTQLQIEIBE
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