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CAS No.: | 105751-18-6 |
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Name: | NEPSILON-FMOC-NALPHA-CBZ-L-LYSINE, 98 |
Article Data: | 3 |
Molecular Structure: | |
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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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