(2E,4S)-4-[(tert-Butyloxycarbonyl)amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic Acid Eethyl Ester - CAS 328086-54-0
Catalog: |
BB071614 |
Product Name: |
(2E,4S)-4-[(tert-Butyloxycarbonyl)amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic Acid Eethyl Ester |
CAS: |
328086-54-0 |
Synonyms: |
(2E,4S)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic Acid Eethyl Ester |
IUPAC Name: | ethyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate |
Description: | Used in the preparation of Rhinovirus protease inhibitors. |
Molecular Weight: | 326.39 |
Molecular Formula: | C16H26N2O5 |
Canonical SMILES: | CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C16H26N2O5/c1-5-22-13(19)7-6-12(10-11-8-9-17-14(11)20)18-15(21)23-16(2,3)4/h6-7,11-12H,5,8-10H2,1-4H3,(H,17,20)(H,18,21)/b7-6+/t11-,12+/m0/s1 |
InChI Key: | FLAJQFOSRMJUDQ-FNSAGKMKSA-N |
Solubility: | Dichloromethane, Ethyl Acetate, Methanol |
Appearance: | Yellow Solid |
Complexity: | 468 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 326.18417193 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 326.18417193 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 93.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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