3-Iodo-N-[(benzyloxy)carbonyl]-L-tyrosine - CAS 79677-62-6
Catalog: |
BB060731 |
Product Name: |
3-Iodo-N-[(benzyloxy)carbonyl]-L-tyrosine |
CAS: |
79677-62-6 |
Synonyms: |
3-Iodo-N-[(phenylmethoxy)carbonyl]-L-tyrosine |
IUPAC Name: | (2S)-3-(4-hydroxy-3-iodophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid |
Description: | 3-Iodo-N-[(benzyloxy)carbonyl]-L-tyrosine is a reactant used in the preparation of diazonamide A and peptidyl and azapeptidyl Me ketones as substrate analog inhibitors of papain and cathepsin B |
Molecular Weight: | 441.22 |
Molecular Formula: | C17H16INO5 |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)NC(CC2=CC(=C(C=C2)O)I)C(=O)O |
InChI: | InChI=1S/C17H16INO5/c18-13-8-12(6-7-15(13)20)9-14(16(21)22)19-17(23)24-10-11-4-2-1-3-5-11/h1-8,14,20H,9-10H2,(H,19,23)(H,21,22)/t14-/m0/s1 |
InChI Key: | RCVSCHJHQHQCGN-AWEZNQCLSA-N |
Solubility: | Methanol |
Appearance: | Off-white Solid |
References: | Palmer, F. et al. Org. Biomol. Chem., 3, 3805 (2005); Calabretta, R. et al. Eur. J. Med. Chem., 30, 931 (1995). |
Complexity: | 427 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 441.00732 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 441.00732 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 95.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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