(R)-tert-Butyl 2-(tert-Butoxycarbonylamino)-5-oxo-5-phenylpentanoate - CAS 1260616-34-9
Catalog: |
BB071808 |
Product Name: |
(R)-tert-Butyl 2-(tert-Butoxycarbonylamino)-5-oxo-5-phenylpentanoate |
CAS: |
1260616-34-9 |
Synonyms: |
(R)-TERT-BUTYL 2-(TERT-BUTOXYCARBONYLAMINO)-5-OXO-5-PHENYLPENTANOATE; tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylpentanoate |
IUPAC Name: | tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylpentanoate |
Description: | (R)-tert-Butyl 2-(tert-Butoxycarbonylamino)-5-oxo-5-phenylpentanoate is used in inhibition studies relating to elucidating the mechanism for carbapenam synthetase. Also used in the synthesis of sphingosine 1-phosphate receptor antagonists in the treatment of multiple sclerosis. |
Molecular Weight: | 363.45 |
Molecular Formula: | C20H29NO5 |
Canonical SMILES: | CC(C)(C)OC(=O)C(CCC(=O)C1=CC=CC=C1)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C20H29NO5/c1-19(2,3)25-17(23)15(21-18(24)26-20(4,5)6)12-13-16(22)14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3,(H,21,24)/t15-/m1/s1 |
InChI Key: | GQSXJAJHFGIAJQ-OAHLLOKOSA-N |
Complexity: | 495 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 363.20457303 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 363.20457303 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 81.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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