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5084-98-0

Basic Information
CAS No.: 5084-98-0
Name: Z-LEU-GLY-OME
Article Data: 11
Molecular Structure:
Molecular Structure of 5084-98-0 (Z-LEU-GLY-OME)
Formula: C17H24N2O5
Molecular Weight: 336.388
Synonyms: Glycine,N-(N-carboxy-L-leucyl)-, N-benzyl methyl ester (7CI,8CI);Glycine,N-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-, methyl ester;NSC 140818;Z-Leu-Gly-OMe;Methyl N-[(benzyloxy)carbonyl]leucylglycinate;
Density: 1.146 g/cm3
Boiling Point: 516.4 °C at 760 mmHg
Flash Point: 266.1 °C
PSA: 93.73000
LogP: 2.39850
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  • Z-LEU-GLY-OME  CAS NO.5084-98-0

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    Z-LEU-GLY-OME CAS NO.5084-98-0

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Specification

The Glycine,N-[(phenylmethoxy)carbonyl]-L-leucyl-, methyl ester (9CI), with the CAS registry number 5084-98-0, has the systematic name of methyl N-[(benzyloxy)carbonyl]leucylglycinate. It should be stored at -15°C. And the molecular formula of the chemical is C17H24N2O5.

The characteristics of Glycine,N-[(phenylmethoxy)carbonyl]-L-leucyl-, methyl ester (9CI) are as followings: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.64; (4)ACD/LogD (pH 7.4): 2.64; (5)ACD/BCF (pH 5.5): 59.97; (6)ACD/BCF (pH 7.4): 59.94; (7)ACD/KOC (pH 5.5): 652; (8)ACD/KOC (pH 7.4): 651.75; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 76.15 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 88.18 cm3; (15)Molar Volume: 293.2 cm3; (16)Polarizability: 34.95×10-24cm3; (17)Surface Tension: 42.1 dyne/cm; (18)Density: 1.146 g/cm3; (19)Flash Point: 266.1 °C; (20)Enthalpy of Vaporization: 78.85 kJ/mol; (21)Boiling Point: 516.4 °C at 760 mmHg; (22)Vapour Pressure: 9.01E-11 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)CNC(=O)C(NC(=O)OCc1ccccc1)CC(C)C
(2)InChI: InChI=1/C17H24N2O5/c1-12(2)9-14(16(21)18-10-15(20)23-3)19-17(22)24-11-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,18,21)(H,19,22)
(3)InChIKey: XJNLCCIXRQPNFH-UHFFFAOYAH