(S)-N-Fmoc-3-Thienylalanine

The 3-Thiophenepropanoicacid, alpha-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(alphaS)-, with the CAS registry number 186320-06-9, is also known as Fmoc-3-(3-thienyl)-L-alanine. It belongs to the product categories of Amino Acids; Phenylalanine Analogs and Other Aromatic Alpha Amino Acids; alpha-Amino. This chemical's molecular formula is C₂₂H₁₉NO₄S and molecular weight is 393.45556. Its IUPAC name is called (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-3-ylpropanoic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes. In addition, you must avoid contacting it with skin and eyes.

Physical properties of 3-Thiophenepropanoicacid, alpha-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(alphaS)-: (1)ACD/LogP: 5.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.92; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 29.49; (6)ACD/BCF (pH 7.4): 1.13; (7)ACD/KOC (pH 5.5): 95.19; (8)ACD/KOC (pH 7.4): 3.64; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.649; (13)Molar Refractivity: 106.78 cm³; (14)Molar Volume: 292.9 cm³; (15)Surface Tension: 60.6 dyne/cm; (16)Density: 1.343 g/cm³; (17)Flash Point: 332.6 °C; (18)Enthalpy of Vaporization: 97.46 kJ/mol; (19)Boiling Point: 626.3 °C at 760 mmHg; (20)Vapour Pressure: 1.5E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)OCC3c1ccccc1c2ccccc23)Cc4ccsc4
(2)InChI: InChI=1/C22H19NO4S/c24-21(25)20(11-14-9-10-28-13-14)23-22(26)27-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,13,19-20H,11-12H2,(H,23,26)(H,24,25)/t20-/m0/s1
(3)InChIKey: LSBZJMRHROCYGY-FQEVSTJZBC