Penilloic acid
5,5-dimethyl-2-[[(2-phenylacetyl)amino]methyl]-1,3-thiazolidine-4-carboxylic acid
Also Known As: Penilloic acid|Penilloate|Penillosaure|Benzylpenilloic acid|Maybridge3_004396|Benzylpenicillin Impurity 48|IDI1_015783|5,5-Dimethyl-2-((2-phenylacetamido)methyl)thiazolidine-4-carboxylic acid|5,5-dimethyl-2-[[(2-phenylacetyl)amino]methyl]-1,3-thiazolidine-4-carboxylic acid|5,5-dimethyl-2-{[(2-phenylacetyl)amino]methyl}-1,3-thiazolane-4-carboxylic acid|Benzylpenicillin EP Impurity F (Mixture of Diastereomers)|5,5-DIMETHYL-2-[(2-PHENYLACETAMIDO)METHYL]-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID|2-(Phenylacetylaminomethyl)-5,5-dimethylthiazolidine-4-carboxylic acid|(2R-trans)-5,5-Dimethyl-2-[[(phenylacetyl)amino]methyl]-4-thiazolidinecarboxylicAcid|4-Thiazolidinecarboxylic acid, 5,5-dimethyl-2-(((2-phenylacetyl)amino)methyl)-|4-Thiazolidinecarboxylic acid, 5,5-dimethyl-2-(((phenylacetyl)amino)methyl)-|4-Thiazolidinecarboxylicacid, 5,5-dimethyl-2-[[(2-phenylacetyl)amino]methyl]-|5,5-dimethyl-2-(((phenylacetyl)amino)methyl)-1,3-thiazolidine-4-carboxylic acid|2-{[(1-Hydroxy-2-phenylethylidene)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
| Molecular Formula | C15H20N2O3S |
|---|---|
| Molecular Weight | 308.11948 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.11948 |
| Monoisotopic Mass | 308.11948 |
| Heavy Atoms | 21 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 73184-06-2 |
|---|---|
| SMILES | CC1(C(NC(S1)CNC(=O)CC2=CC=CC=C2)C(=O)O)C |
| InChIKey | LRWFMQCGNBOTQP-UHFFFAOYSA-N |
Product Overview
Penilloic acid (CAS 73184-06-2), with molecular formula C15H20N2O3S and molecular weight 308.11948 g/mol. IUPAC: 5,5-dimethyl-2-[[(2-phenylacetyl)amino]methyl]-1,3-thiazolidine-4-carboxylic acid.