N-Methyl-methyl ester D-Phenylalanine Hydrochloride - CAS 130008-09-2
Catalog: |
BB059472 |
Product Name: |
N-Methyl-methyl ester D-Phenylalanine Hydrochloride |
CAS: |
130008-09-2 |
Synonyms: |
N-methyl-D-phenylalanine methyl ester hydrochloride; methyl (2R)-2-(methylamino)-3-phenylpropanoate; hydrochloride; (R)-Methyl 2-(methylamino)-3-phenylpropanoate hydrochloride; methyl (2R)-2-(methylamino)-3-phenylpropanoate hydrochloride |
IUPAC Name: | methyl (2R)-2-(methylamino)-3-phenylpropanoatehydrochloride |
Description: | N-Methyl-methyl Ester D-Phenylalanine Hydrochloride is used in the preparation of chloroethylmethylphenylalanine as a carboxypeptidase A inhibitor. |
Molecular Weight: | 193.24 + x(36.46) |
Molecular Formula: | C11H15NO2·(HCl)x |
Canonical SMILES: | CNC(CC1=CC=CC=C1)C(=O)OC.Cl |
InChI: | InChI=1S/C11H15NO2.ClH/c1-12-10(11(13)14-2)8-9-6-4-3-5-7-9/h3-7,10,12H,8H2,1-2H31H/t10-/m1./s1 |
InChI Key: | ZIFGLAQTUGRAAB-HNCPQSOCSA-N |
References: | Park, J. D., et al. Bioorganic Med. Chem., 9, 237 (2001). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2001181246-A | Method for producing salt of amino acid ester and acid | 19991224 |
JP-4237367-B2 | Method for producing salt of amino acid ester and acid | 19991224 |
AU-691201-B2 | Endothelin receptor antagonists | 19931101 |
CA-2173875-A1 | Endothelin receptor antagonists | 19931101 |
EP-0728145-A1 | Endothelin receptor antagonists | 19931101 |
RU-2126418-C1 | Endothelin receptor antagonists | 19931101 |
US-5780498-A | Endothelin receptor antagonists | 19931101 |
WO-9512611-A1 | Endothelin receptor antagonists | 19931101 |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.0869564 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.0869564 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 38.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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