Penicilloate

2-[carboxy-[(2-phenylacetyl)amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

Also Known As: Benzylpenicilloic acid|Penicilloate|Penicilloic acid|Penicillosaure|Pencilloic G acid|Benzylpenicillin impurity 58|5R,6R-Benzylpenicilloic Acid|BENZYLPENICILLOIC ACID (Mixture of Diastereomers)|Benzylpenicillin Impurity 21(Mixture of Diastereomers)|2-[carboxy-[(2-phenylacetyl)amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid|2-(Carboxy(2-phenylacetamido)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid|2-[carboxy-[(2-phenylacetyl)amino]methyl]-5,5-dimethyl-1,3-t|2-{carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid|2-[(Phenylacetylamino)carboxymethyl]-5,5-dimethylthiazolidine-4-carboxylic acid|2-[1-(Phenylacetylamino)-2-hydroxy-2-oxoethyl]-5,5-dimethylthiazolidine-4-carboxylic acid|(2S,4R)-2-[(S)-carboxy-[(2-phenylacetyl)amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid|2-[2-hydroxy-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid|2-[CARBOXY(2-PHENYLACETAMIDO)METHYL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID|NSC 163084; Penicilloic G Acid; 4-Carboxy-5,5-dimethyl-Alpha-[(2-phenylacetyl)amino]-2-thiazolidineacetic Acid; (Phenylmethyl)-Penicilloic Acid

Molecular Formula	C16H20N2O5S
Molecular Weight	352.10928 g/mol
LogP	0.69
Topological Polar Surface Area	115.73 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	352.10928
Heavy Atoms	24
Complexity	634.6

Chemical Identifiers

CAS Number	13057-98-2
SMILES	CC1(C(NC(S1)C(C(=O)O)NC(=O)CC2=CC=CC=C2)C(=O)O)C