| CAS Number | 1038924-97-8 |
| Catalog Number | AG009452 |
| Chemical Name | 2,5-Dioxopyrrolidine Sacubitril |
| IUPAC Name | ethyl (2R,4S)-4-(2,5-dioxopyrrolidin-1-yl)-2-methyl-5-(4-phenylphenyl)pentanoate |
| InChI | InChI=1S/C24H27NO4/c1-3-29-24(28)17(2)15-21(25-22(26)13-14-23(25)27)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,17,21H,3,13-16H2,1-2H3/t17-,21+/m1/s1 |
| InChI Key | UXCICAHPGZDADX-UTKZUKDTSA-N |
| MDL Number | MFCD34597455 |
| Molecular Formula | C24H27NO4 |
| Molecular Weight | 393.4755 |
| SMILES | C1(=CC=C(C=C1)C[C@H](C[C@H](C(=O)OCC)C)N1C(CCC1=O)=O)C1=CC=CC=C1 |
| Synonyms | SCHEMBL598698,
UXCICAHPGZDADX-UTKZUKDTSA-N,
AKOS030621735,
1038924-97-8,
Ethyl (2R,4S)-4-([1,1'-biphenyl]-4-ylmethyl)-2-methyl-4-(2,5-dioxopyrrolidin-1-yl)butanoate,
(2R,4S)-5-Biphenyl-4-yl-4-(2,5-dioxopyrrolidin-1-yl)-2-methylpentanoic acid ethyl ester,
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| Complexity | 559 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 393.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 393.483g/mol |
| Monoisotopic Mass | 393.194g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 63.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number