The systematic name of L-Isoleucine,N-[(phenylmethoxy)carbonyl]glycylglycyl- (9CI) is N-[(benzyloxy)carbonyl]glycylglycylisoleucine. With the CAS registry number 102601-54-7, it is also named as Z-Gly-Gly-lle-OH. In addition, its molecular formula is C₁₈H₂₅N₃O₆ and its molecular weight is 379.41.

The other characteristics of L-Isoleucine,N-[(phenylmethoxy)carbonyl]glycylglycyl- (9CI) can be summarized as: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 9; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 11; (6)Polar Surface Area: 96.46 Å²; (7)Index of Refraction: 1.539; (8)Molar Refractivity: 96.23 cm³; (9)Molar Volume: 306.8 cm³; (10)Polarizability: 38.14×10^-24cm³; (11)Surface Tension: 50.2 dyne/cm; (12)Density: 1.236 g/cm³; (13)Flash Point: 384 °C; (14)Enthalpy of Vaporization: 109.21 kJ/mol; (15)Boiling Point: 711.4 °C at 760 mmHg; (16)Vapour Pressure: 3.06E-21 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)C(NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(C)CC
(2)InChI: InChI=1/C18H25N3O6/c1-3-12(2)16(17(24)25)21-15(23)10-19-14(22)9-20-18(26)27-11-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3,(H,19,22)(H,20,26)(H,21,23)(H,24,25)
(3)InChIKey: FHIFMGIEEFWNFK-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C18H25N3O6/c1-3-12(2)16(17(24)25)21-15(23)10-19-14(22)9-20-18(26)27-11-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3,(H,19,22)(H,20,26)(H,21,23)(H,24,25)
(5)Std. InChIKey: FHIFMGIEEFWNFK-UHFFFAOYSA-N