| CAS Number | 676129-92-3 |
| Catalog Number | AG00G1PE(AGN-PC-0OG89J) |
| Chemical Name | S)-2-(((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)Methyl)aMino)-3- Methylbutanoic acid |
| IUPAC Name | (2S)-3-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoic acid |
| InChI | InChI=1S/C19H21N5O2/c1-12(2)17(19(25)26)20-11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)18-21-23-24-22-18/h3-10,12,17,20H,11H2,1-2H3,(H,25,26)(H,21,22,23,24)/t17-/m0/s1 |
| InChI Key | NSXSCTCKWRSTHJ-KRWDZBQOSA-N |
| MDL Number | MFCD30342453 |
| Molecular Formula | C19H21N5O2 |
| Molecular Weight | 351.4023 |
| SMILES | CC(C)[C@@H](C(O)=O)NCC1=CC=C(C=C1)C2=C(C3=NN=NN3)C=CC=C2 |
| Synonyms | 676129-92-3,
Des(oxopentyl) Valsartan,
(S)-2-(((2'-(2H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)amino)-3-methylbutanoic acid,
NSXSCTCKWRSTHJ-KRWDZBQOSA-N,
SCHEMBL1775269,
SCHEMBL8243055,
ZINC38494369,
AKOS027461074,
N-[4-[2-(1H-Tetrazole-5-yl)phenyl]benzyl]-L-valine,
[2'-(1H-tetrazol-5yl)[1,1'-biphenyl-4-yl]methyl]-L-valine,
(S)-3-methyl-2-((2'-(1 H-tetrazol-5-yl)-biphenyl-4-ylmethyl)amino)-butyric acid,
(S)-3-methyl-2-((2'-(1H-tetrazol-5-yl)-biphenyl-4-yl-methyl)-amino)-butyric acid,
(S)-3-Methyl-2-((2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl)-amino)-butyric acid,
(S)-3-methyl-2-((2'-(1H-tetrazol-5-yl)-biphenyl-4ylmethyl)-amino)-butyric acid,
CID10315945,
(2S)-3-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoic Acid,
|
| Complexity | 453 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 351.17g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.41g/mol |
| Monoisotopic Mass | 351.17g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number