FMOC-(S)-3-AMINO-4-(1-NAPHTHYL)-BUTYRIC ACID

The IUPAC name of Fmoc-(S)-3-Amino-4-(1-naphthyl)-butyric acid is (3S)-3-amino-5-(9H-fluoren-9-ylmethoxy)-4-naphthalen-1-yl-5-oxopentanoic acid. With the CAS registry number 270063-38-2, it is also named as 1-Naphthalenebutanoicacid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(bS)-. The product's categories are 3-Amino-4-phenylbutyric Acid Analogs; 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. In addition, its molecular formula is C₂₉H₂₅NO₄ and its molecular weight is 451.51.

The other characteristics of Fmoc-(S)-3-Amino-4-(1-naphthyl)-butyric acid can be summarized as: (1)ACD/LogP: 6.72; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.25; (4)ACD/LogD (pH 7.4): 4.21; (5)H bond acceptors: 5; (6)H bond donors: 3; (7)Freely Rotating Bonds: 9; (8)Polar Surface Area: 89.62 Å²; (9)Index of Refraction: 1.671; (10)Molar Refractivity: 130.81 cm³; (11)Molar Volume: 349.6 cm³; (12)Polarizability: 51.86×10^-24cm³; (13)Surface Tension: 61.1 dyne/cm; (14)Density: 1.291 g/cm³; (15)Flash Point: 372.2 °C; (16)Enthalpy of Vaporization: 106.46 kJ/mol; (17)Boiling Point: 691.8 °C at 760 mmHg; (18)Vapour Pressure: 4.3E-20 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1ccc2c(c1)cccc2C(C(CC(=O)O)N)C(=O)OCC3c4ccccc4-c5c3cccc5
(2)InChI:InChI=1/C29H25NO4/c30-26(16-27(31)32)28(24-15-7-9-18-8-1-2-10-19(18)24)29(33)34-17-25-22-13-5-3-11-20(22)21-12-4-6-14-23(21)25/h1-15,25-26,28H,16-17,30H2,(H,31,32)/t26-,28?/m0/s1
(3)InChIKey:PTGDPMFUHMBYGC-QODXOHEABU
(4)Std. InChI:InChI=1S/C29H25NO4/c30-26(16-27(31)32)28(24-15-7-9-18-8-1-2-10-19(18)24)29(33)34-17-25-22-13-5-3-11-20(22)21-12-4-6-14-23(21)25/h1-15,25-26,28H,16-17,30H2,(H,31,32)/t26-,28?/m0/s1
(5)Std. InChIKey:PTGDPMFUHMBYGC-QODXOHEASA-N