| CAS Number | 1111177-30-0 |
| Catalog Number | AG00957E(AGN-PC-0WH5F0) |
| Chemical Name | Ethyl N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-N-pentanoyl-L-valinate |
| IUPAC Name | ethyl (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate |
| InChI | InChI=1S/C26H33N5O3/c1-5-7-12-23(32)31(24(18(3)4)26(33)34-6-2)17-19-13-15-20(16-14-19)21-10-8-9-11-22(21)25-27-29-30-28-25/h8-11,13-16,18,24H,5-7,12,17H2,1-4H3,(H,27,28,29,30)/t24-/m0/s1 |
| InChI Key | BTSNVLAJCYDJEU-DEOSSOPVSA-N |
| MDL Number | MFCD29045635 |
| Molecular Formula | C26H33N5O3 |
| Molecular Weight | 463.5719 |
| SMILES | C(N([C@H](C(=O)OCC)C(C)C)C(=O)CCCC)c1ccc(cc1)c1c(cccc1)c1[nH]nnn1 |
| Synonyms | 1111177-30-0,
Valsartan Ethyl Ester,
Ethyl n-((2'-(1h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-n-pentanoyl-l-valinate,
SCHEMBL683543,
|
| Complexity | 638 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 463.25834g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 463.6g/mol |
| Monoisotopic Mass | 463.25834g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 101Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number