| CAS Number | 172992-35-7 |
| Catalog Number | AG019EYM(AGN-PC-0WG4AZ) |
| Chemical Name | (2S)-3-[4-(benzyloxy)phenyl]-2-butanamidopropanoic acid |
| IUPAC Name | (2S)-2-(butanoylamino)-3-(4-phenylmethoxyphenyl)propanoic acid |
| InChI | InChI=1S/C20H23NO4/c1-2-6-19(22)21-18(20(23)24)13-15-9-11-17(12-10-15)25-14-16-7-4-3-5-8-16/h3-5,7-12,18H,2,6,13-14H2,1H3,(H,21,22)(H,23,24)/t18-/m0/s1 |
| InChI Key | WSVWDDCYQOYKQN-SFHVURJKSA-N |
| MDL Number | MFCD30471758 |
| Molecular Formula | C20H23NO4 |
| Molecular Weight | 341.4009 |
| SMILES | CCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |
| Synonyms | (S)-3-(4-(BENZYLOXY)PHENYL)-2-BUTYRAMIDOPROPANOIC ACID,
172992-35-7,
SCHEMBL9052952,
MFCD30471758,
AKOS030627843,
ZINC140939672,
CS-0036624,
CID10958792,
(2S)-2-(butanoylamino)-3-(4-phenylmethoxyphenyl)propanoic Acid,
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| Complexity | 412 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 341.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 341.407g/mol |
| Monoisotopic Mass | 341.163g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number