150242-19-6

The L-Tryptophan,N-L-g-glutamyl-5-hydroxy- (9CI), with the CAS registry number of 150242-19-6, is also known as γ-L-Glutamyl-5-hydroxy-L-tryptophan. Its molecular formula is C₁₆H₁₉N₃O₆ and molecular weight is 349.338560. What's more, its systematic name is (4S)-4-Amino-5-[[(1S)-1-carboxy-2-(5-hydroxy-1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid.

Physical properties about the L-Tryptophan,N-L-g-glutamyl-5-hydroxy- (9CI) are: (1)ACD/LogP: -0.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.99; (4)ACD/LogD (pH 7.4): -4.2; (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: 9; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 90.31 Å²; (13)Index of Refraction: 1.683; (14)Molar Refractivity: 87.96 cm³; (15)Molar Volume: 231.7 cm³; (16)Surface Tension: 83.8 dyne/cm; (17)Density: 1.507 g/cm³; (18)Flash Point: 438.6 °C; (19)Enthalpy of Vaporization: 122.22 kJ/mol; (20)Boiling Point: 801.6 °C at 760 mmHg; (21)Vapour Pressure: 4.06E-27 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC[C@H](N)C(=O)N[C@H](C(=O)O)Cc2c1cc(O)ccc1nc2
(2) InChI: InChI=1/C16H19N3O6/c17-11(2-4-14(21)22)15(23)19-13(16(24)25)5-8-7-18-12-3-1-9(20)6-10(8)12/h1,3,6-7,11,13,18,20H,2,4-5,17H2,(H,19,23)(H,21,22)(H,24,25)/t11-,13-/m0/s1
(3) InChIKey: GJOHGZXBEHBULM-AAEUAGOBBD