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105751-18-6

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Basic Information
CAS No.: 105751-18-6
Name: NEPSILON-FMOC-NALPHA-CBZ-L-LYSINE, 98
Article Data: 3
Molecular Structure:
Molecular Structure of 105751-18-6 (NEPSILON-FMOC-NALPHA-CBZ-L-LYSINE, 98)
Formula: C29H29N2O6
Molecular Weight: 502.567
Synonyms: Cbz-Lys(Fmoc)-OH;Z-Lys(Fmoc)-OH;N-Fmoc-N-benzyloxycarbonyl-L-lysine;
EINECS: 200-659-6
Density: 1.2418 (rough estimate)
Melting Point: 101 °C
Boiling Point: 751.2 °C at 760 mmHg
Flash Point: 408.1 °C
Appearance: white fine powder
PSA: 119.16000
LogP: 5.85680
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Specification

This chemical is called (2S)-2-{[(Benzyloxy)carbonyl]amino}-6-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoate. With the molecular formula of C29H29N2O6, its molecular weight is 502.56. The CAS registry number of this chemical is 105751-18-6. Additionally, its product category is Amino Acids.

Other characteristics of the (2S)-2-{[(Benzyloxy)carbonyl]amino}-6-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoate can be summarised as followings: (1)ACD/LogP: 5.58; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 8; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 13; (6)Polar Surface Area: 96.38 Å2; (7)Flash Point: 408.1 °C; (8)Enthalpy of Vaporization: 114.89 kJ/mol; (9)Boiling Point: 751.2 °C at 760 mmHg; (10)Vapour Pressure: 1.04E-23 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: [O-]C(=O)[C@@H](NC(=O)OCc1ccccc1)CCCCNC(=O)OCC4c2ccccc2c3c4cccc3
2.InChI: InChI=1/C29H30N2O6/c32-27(33)26(31-29(35)36-18-20-10-2-1-3-11-20)16-8-9-17-30-28(34)37-19-25-23-14-6-4-12-21(23)22-13-5-7-15-24(22)25/h1-7,10-15,25-26H,8-9,16-19H2,(H,30,34)(H,31,35)(H,32,33)/p-1/t26-/m0/s1
3.InChIKey: LNKKPRSYVVUBTR-FKDJEEBSBT