Murcko scaffold
Ring system with 2 rings and 16 atoms
47 chemicals on CompoundList share this ring system.
- Rings
- 2
- Scaffold atoms
- 16
- Chemicals
- 47
- With full pages
- 13
Scaffold SMILES
O=C(Cc1ccccc1)NCC1NCCS1
A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.
Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.
Chemicals with this scaffold
Open one to see its structure, properties and suppliers.
Showing 1 to 47 of 47 chemicals
Penicilloate
CAS 493-39-0C16H20N2O5S
2-(2-((5-Carboxypentyl)amino)-2-oxo-1-((2-phenylacetyl)amino)ethyl)-5,5-dimethyl-4-thiazolidinecarboxylic acid
CAS 2642-55-9C22H31N3O6S
Benzylpenicilloylformyllysine
CAS 38956-82-0C23H30CaN4O7S
Penilloic acid
CAS 501-34-8C15H20N2O3S
Benzylpenicilloic acid
CAS 13057-98-2C16H20N2O5S
Benzylpenilloic acid
CAS 73184-06-2C15H20N2O3S
Ampicillinoic acid
CAS 57457-66-6C16H21N3O5S
Ampicilloic acid
CAS 32746-94-4C16H21N3O5S
(5S,6R)-Benzylpenicilloic acid
CAS 89014-19-7C16H20N2O5S
Amoxicillin impurity 19
CAS 57457-65-5C16H21N3O6S
Dextro-(-)-benzylpenicilloic acid hydrate
CAS 195141-09-4C16H22N2O6S
Benzylpenicilloyl polylysine
CAS 31855-75-1C28H46N6O8S
Ampicilloic acid, thiazolidine 2S epimer-
CAS 71774-55-5C16H21N3O5S
Ampicillin EP impurity F
CAS 124774-48-7C15H21N3O3S
2-(((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)methyl(-5,5-dimethylthiazolidine-4-carboxylic acid, (4S)-
CAS 1356020-01-3C15H21N3O4S
![2-[(2-Phenylacetamido)methyl]-1,3-thiazolidine-4-carboxylic acid chemical structure, C13H16N2O3S, CAS 89314-92-1](/s/NYBBKJZXFSATFX-UHFFFAOYSA-N.svg)
2-[(2-Phenylacetamido)methyl]-1,3-thiazolidine-4-carboxylic acid
CAS 89314-92-1C13H16N2O3S
![5-Methyl-2-[(2-phenylacetamido)methyl]-1,3-thiazolidine-4-carboxylic acid chemical structure, C14H18N2O3S, CAS 89314-93-2](/s/XFKKBWBRDQDYMB-UHFFFAOYSA-N.svg)
5-Methyl-2-[(2-phenylacetamido)methyl]-1,3-thiazolidine-4-carboxylic acid
CAS 89314-93-2C14H18N2O3S
Sodium 5,5-dimethyl-2-(((phenylacetyl)amino)methyl)-4-thiazolidinecarboxylate
CAS 73482-00-5C15H19N2NaO3S
methyl]-5,5-dimethyl- chemical structure, C19H25N3O6S2, CAS 103506-37-2](/s/ZKVQVUUPDWIKAR-UHFFFAOYSA-N.svg)
4-Thiazolidinecarboxylic acid, 2-[[(1-carboxy-2-mercaptoethyl)carbamoyl](2-phenylacetamido)methyl]-5,5-dimethyl-
CAS 103506-37-2C19H25N3O6S2
Sodium benzylpenicilloate
CAS 16349-25-0C16H19N2NaO5S
Libecillide
CAS 27826-45-5C23H32N4O7S
Amoxicillin EP impurity E-2
C15H21N3O4S
Amoxicillin EP impurity D2-2
CAS 107437-40-1C16H21N3O6S
Amoxicillin EP impurity D1-2
CAS 93302-27-3C16H21N3O6S
- (2S,4S)-2-[(R)-[[(2R)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino]-carboxymethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid87860-49-9C16H21N3O6S
- (4S)-2-(((R)-2-Amino-2-phenylacetamido)methyl)-5,5-dimethylthiazolidine-4-carboxylic acidC15H21N3O3S
- Ampicillin Desoxyazetidin-2-one (~90%)C15H21N3O3S
- 1 suppliers(4S)-2-(((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)(carboxy)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid42947-63-7C16H21N3O6S
- (4S)-2-(((R)-2-Amino-2-phenylacetamido)(carboxy)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid1642629-93-3C16H21N3O5S
- (4S)-rel-2-(((R)-2-Amino-2-phenylacetamido)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid2197189-82-3C15H21N3O3S
- (4S)-2-(((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)-methyl)-5,5-dimethylthiazolidine-4-carboxylic acid178738-48-2C15H21N3O4S
- Benzylpenicilloyl-epsilon-L-lysine25616-15-3C22H32N4O6S
- (2RS,4S)-5,5-Dimethyl-2-((2-phenylacetamido)methyl)thiazolidine-4-carboxylic acid (mixture of diastereomers)2714749-47-8C15H20N2O3S
- Amoxicillin impurity D1642559-71-4C16H20N3NaO6S
- Sodium (4S)-2-[[[(2R)-2-amino-2-phenylacetyl]amino]-carboxymethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate1642559-70-3C16H20N3NaO5S
- (2S,4S)-2-[[[(2R)-2-Amino-2-phenylacetyl]amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid124774-49-8C15H21N3O3S
- Amoxicillin impurity N568728-47-2C16H20N3NaO6S
- Sodium 4-[1-amino-2-[[carboxy-(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino]-2-oxoethyl]phenolateC16H20N3NaO6S
- 2-((2-Amino-2-(4-hydroxyphenyl)acetamido)(carboxy)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid, sodium salt (Amoxicillin Impurity)C16H21N3NaO6S
- 5R,6R-Benzylpenicilloate disodium salt63448-72-6C16H18N2Na2O5S
- (4S)-2-(1-((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)-2-methoxy-2-oxoethyl)-5,5-dimethylthiazolidine-4-carboxylic acid2088960-44-3C17H23N3O6S
- 1 suppliersAmoxicillin open ring methyl ester185802-22-6C17H23N3O6S
- (2R,4S)-2-((R)-((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)(carboxy)methyl)-5,5-dimethylthiazolidine-4-carboxylic Acid Ammonium Salt1204829-51-5C16H24N4O6S
- Ammonium amoxipenicilloateC16H24N4O6S
- Disodium (2R,4S)-2-[(1R)-2-[(5-carboxylatopentyl)amino]-2-oxo-1-(2-phenylacetamido)ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate42454-67-1C22H29N3Na2O6S
- Penilloic acid monohydrate66731-36-0C15H22N2O4S
- C16H23N3NaO6SC16H23N3NaO6S
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold O=C(CSc1nnc[nH]1)Nc1ccccc1](/scaffold/VJBDIQRNSVRUDP-UHFFFAOYSA-N/structure.svg)
O=C(CSc1nnc[nH]1)Nc1ccccc165 chemicals
O=C(COc1ccccc1)Nc1nccs143 chemicals
O=C(CCc1ccco1)Nc1ccccc134 chemicals
O=C(CSc1nncs1)Nc1ccccc134 chemicals![Scaffold O=C(NN=Cc1ccccc1)c1cc[nH]n1](/scaffold/UEBQXDJERRSAMF-UHFFFAOYSA-N/structure.svg)
O=C(NN=Cc1ccccc1)c1cc[nH]n129 chemicals
O=C(CCc1ccccc1)Nc1nncs125 chemicals
S=C(NCc1ccco1)Nc1ccccc124 chemicals![Scaffold O=C(CSc1nnn[nH]1)Nc1ccccc1](/scaffold/FDRBWKCIVMSABC-UHFFFAOYSA-N/structure.svg)
O=C(CSc1nnn[nH]1)Nc1ccccc122 chemicals![Scaffold O=C(CSc1ncc[nH]1)Nc1ccccc1](/scaffold/OMOYRSCPUXAYDW-UHFFFAOYSA-N/structure.svg)
O=C(CSc1ncc[nH]1)Nc1ccccc121 chemicals
O=C(NC(=S)Nc1ccccc1)c1ccco121 chemicals
O=C(CCN1CCCC1)Nc1ccccc120 chemicals
O=C(NN=Cc1ccco1)c1ccccc119 chemicals