The systematic name of Fmoc-L-allo-isoleucine is N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alloisoleucine. With the CAS registry number 251316-98-0, it is also named as (2S,3R)-2-(9H-Fluoren-9-ylmethoxycarboylamino)-3-methylpentanoic acid. In addition, its molecular formula is C₂₁H₂₃NO₄ and its molecular weight is 353.41.

The other characteristics of Fmoc-L-allo-isoleucine can be summarized as: (1)ACD/LogP: 4.95; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 55.84 Å²; (7)Index of Refraction: 1.582; (8)Molar Refractivity: 97.77 cm³; (9)Molar Volume: 292.6 cm³; (10)Polarizability: 38.75×10^-24cm³; (11)Surface Tension: 50.1 dyne/cm; (12)Density: 1.207 g/cm³; (13)Flash Point: 292.4 °C; (14)Enthalpy of Vaporization: 88.62 kJ/mol; (15)Boiling Point: 559.8 °C at 760 mmHg; (16)Vapour Pressure: 2.28E-13 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)[C@H](C)CC
(2)InChI: InChI=1/C21H23NO4/c1-3-13(2)19(20(23)24)22-21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,3,12H2,1-2H3,(H,22,25)(H,23,24)/t13-,19+/m1/s1
(3)InChIKey: QXVFEIPAZSXRGM-YJYMSZOUBD
(4)Std. InChI: InChI=1S/C21H23NO4/c1-3-13(2)19(20(23)24)22-21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,3,12H2,1-2H3,(H,22,25)(H,23,24)/t13-,19+/m1/s1
(5)Std. InChIKey: QXVFEIPAZSXRGM-YJYMSZOUSA-N