Na-Boc-Ne-Z-L-lysinol - CAS 82689-20-1
Catalog: |
BB036881 |
Product Name: |
Na-Boc-Ne-Z-L-lysinol |
CAS: |
82689-20-1 |
Synonyms: |
Boc-L-Lysinol(Z); Boc-L-Lys(Z)-ol; (S)-Benzyl tert-butyl (6-hydroxyhexane-1,5-diyl)dicarbamate |
IUPAC Name: | benzyl N-[(5S)-6-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamate |
Description: | Na-Boc-Ne-Z-L-lysinol (CAS# 82689-20-1) is used to prepare N-(iminoethyl)lysinol derivs. as nitric oxide synthase inhibitors. |
Molecular Weight: | 366.45 |
Molecular Formula: | C19H30N2O5 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)CO |
InChI: | InChI=1S/C19H30N2O5/c1-19(2,3)26-18(24)21-16(13-22)11-7-8-12-20-17(23)25-14-15-9-5-4-6-10-15/h4-6,9-10,16,22H,7-8,11-14H2,1-3H3,(H,20,23)(H,21,24)/t16-/m0/s1 |
InChI Key: | MLAPMZGXJGUYNO-INIZCTEOSA-N |
Purity: | ≥ 98 % (HPLC) |
Appearance: | White powder |
Storage: | Store at 2-8 °C |
LogP: | 3.75050 |
Publication Number | Title | Priority Date |
US-2020405887-A1 | Macrocyclic ligands with pendant chelating moieties and complexes thereof | 20180307 |
JP-2021515051-A | Macrocyclic ligand with pendant chelate moiety and its complex | 20180307 |
JP-2019529439-A | Chiral cyclen compounds and uses thereof | 20160919 |
US-2021283278-A1 | Chiral cyclen compounds and their uses | 20160919 |
US-10239878-B2 | Macrocyclic ligands with pendant chelating moieties and complexes thereof | 20160902 |
Complexity: | 417 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 366.21547206 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 366.21547206 |
Rotatable Bond Count: | 12 |
Topological Polar Surface Area: | 96.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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