N-[(R)-1-Carbethoxybutyl]-(S)-alanine Benzyl Ester - CAS 112243-71-7
Catalog: |
BB069248 |
Product Name: |
N-[(R)-1-Carbethoxybutyl]-(S)-alanine Benzyl Ester |
CAS: |
112243-71-7 |
Synonyms: |
(R)-Ethyl 2-(((S)-1-(benzyloxy)-1-oxopropan-2-yl)amino)pentanoate |
IUPAC Name: | ethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate |
Description: | N-[(R)-1-Carbethoxybutyl]-(S)-alanine Benzyl Ester is an intermediate for the synthesis of N-[(R)-1-Carbethoxybutyl]-(S)-alanine (C178000),which is an intermediate in the synthesis of Perindoprilat (P287530), an angiotensin-converting enzyme (ACE) inhibitor. Antihypertensive. |
Molecular Weight: | 307.38 |
Molecular Formula: | C17H25NO4 |
Canonical SMILES: | CCCC(C(=O)OCC)NC(C)C(=O)OCC1=CC=CC=C1 |
InChI: | InChI=1S/C17H25NO4/c1-4-9-15(17(20)21-5-2)18-13(3)16(19)22-12-14-10-7-6-8-11-14/h6-8,10-11,13,15,18H,4-5,9,12H2,1-3H3/t13-,15+/m0/s1 |
InChI Key: | IRRWRQHUODGTBM-DZGCQCFKSA-N |
Solubility: | Dichloromethane; Ethyl Acetate; Methanol |
Appearance: | Light Yellow Oil |
Storage: | Refrigerator |
References: | Pascard, C., et al. J. Med. Chem., 34, 663 (1991). |
Complexity: | 340 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 307.17835828 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 307.17835828 |
Rotatable Bond Count: | 11 |
Topological Polar Surface Area: | 64.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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