Amoxicilloic acid
(2R,4S)-2-[(R)-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-carboxymethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Also Known As: Amoxicilloic acid|Amoxycilloic acid|Amoxipenicilloic Acid|Amoxicillin Impurity 82|Epitope ID:567329|(5R,6R)-Amoxicilloic acid|AMOXICILLIN RELATED COMPOUND D|AMOXICILLIN RELATED COMPOUND D [USP-RS]|AMOXICILLIN SODIUM IMPURITY D [EP IMPURITY]|AMOXICILLIN TRIHYDRATE IMPURITY D [EP IMPURITY]|(2R,4S)-2-[(R)-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-carboxymethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid|(2R,4S)-2-[(R)-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid|(2R)-(2R)-2-(4-Hydroxyphenyl)glycyl-2-[(2R,4S)-4-carboxy-5,5-dimethyl-2-thiazolidinyl]glycine|(2R,4S)-2-((R)-(((2R)-2-amino-2-(4-hydroxyphenyl)acetyl)amino)(carboxy)methyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid|(2R,4S)-2-((R)-((R)-2-amino-2-(4-hydroxyphenyl)acetamido)(carboxy)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid|(2R,4S)-2-[(1R)-1-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-2-hydroxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid|(2R,4S)-2-[(R)-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido](carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid|(2R,4S)-2-[(R)-1-[[(R)-2-(4-Hydroxyphenyl)-2-aminoacetyl]amino]-2-oxo-2-hydroxyethyl]-5,5-dimethylthiazolidine-4-carboxylic acid|(4S)-2-(((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)(carboxy)-methyl)-5,5-dimethylthiazolidine-4-carboxylic acid|(alphar,2r,4s)-2-[2(r)-amino-2-(4-hydroxyphenyl)acetylamino]-4-carboxy-5,5-dimethyl-2-thiazolidinylacetic acid|2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID|AXL|Glycine, (2R)-2-(4-hydroxyphenyl)glycyl-2-[(2R,4S)-4-carboxy-5,5-dimethyl-2-thiazolidinyl]-, (2R)-
| Molecular Formula | C16H21N3O6S |
|---|---|
| Molecular Weight | 383.1151 g/mol |
| LogP | -4.6 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.1151 |
| Monoisotopic Mass | 383.1151 |
| Heavy Atoms | 26 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 42947-63-7 |
|---|---|
| SMILES | CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](C2=CC=C(C=C2)O)N)C(=O)O)C |
| InChIKey | LHHKJQFIKHAUIA-MPPDQPJWSA-N |
Product Overview
Amoxicilloic acid (CAS 42947-63-7), with molecular formula C16H21N3O6S and molecular weight 383.1151 g/mol. IUPAC: (2R,4S)-2-[(R)-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-carboxymethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
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