Boc-Lys(Z)-OtBu N-Phenylmethoxycarbonyl - CAS 135727-85-4
Catalog: |
BB072433 |
Product Name: |
Boc-Lys(Z)-OtBu N-Phenylmethoxycarbonyl |
CAS: |
135727-85-4 |
Synonyms: |
(S)-Tert-butyl 6-(((Benzyloxy)carbonyl)amino)-2-((tert-butoxycarbonyl)amino)hexanoate; N2-[(1,1-Dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysine 1,1-Dimethylethyl Ester |
IUPAC Name: | tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate |
Description: | Boc-Lys(Z)-OtBu is used in the synthesis of Isodesmosine Chloride (I815050), which is a component of elastin. |
Molecular Weight: | 436.54 |
Molecular Formula: | C23H36N2O6 |
Canonical SMILES: | CC(C)(C)OC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C23H36N2O6/c1-22(2,3)30-19(26)18(25-21(28)31-23(4,5)6)14-10-11-15-24-20(27)29-16-17-12-8-7-9-13-17/h7-9,12-13,18H,10-11,14-16H2,1-6H3,(H,24,27)(H,25,28)/t18-/m0/s1 |
InChI Key: | LTYWMUXFBVOTID-SFHVURJKSA-N |
References: | Partridge, S., et al. Nature, 209, 399 (1966),. |
Complexity: | 574 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 436.25733687 |
Formal Charge: | 0 |
Heavy Atom Count: | 31 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 436.25733687 |
Rotatable Bond Count: | 14 |
Topological Polar Surface Area: | 103Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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