Cbz-DL-β-phenylalanine - CAS 14440-98-3
Catalog: |
BB070459 |
Product Name: |
Cbz-DL-β-phenylalanine |
CAS: |
14440-98-3 |
Synonyms: |
β-[[(Phenylmethoxy)carbonyl]amino]-benzenepropanoic Acid; (±)-β-[[(Phenylmethoxy)carbonyl]amino]-benzenepropanoic Acid ; DL-β-(Carboxyamino)-hydrocinnamic Acid β-Benzyl Ester; NSC 195911 |
Related CAS: | 14477-66-8
|
IUPAC Name: | 3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid |
Description: | Cbz-DL-β-phenylalanine is a useful synthetic intermediate. It can be used to prepare diphenyl-substituted amino alcohols as protease inhibitors. It is also used to synthesize DL-β-Phenylalanine N-Hydroxysuccinimide Ester (P319400) |
Molecular Weight: | 299.32 |
Molecular Formula: | C17H17NO4 |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C2=CC=CC=C2 |
InChI: | InChI=1S/C17H17NO4/c19-16(20)11-15(14-9-5-2-6-10-14)18-17(21)22-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,21)(H,19,20) |
InChI Key: | POJLWVWXBAHGGO-UHFFFAOYSA-N |
References: | Gordon, E., et al. Eur. Pat. Appl. (1994), EP 580402 A2 19940126. |
Complexity: | 360 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.11575802 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.11575802 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 75.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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