4CS
(4S)-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID
Find entries where: 4CS
is present as a standalone ligand in 7 entries
Chemical Component Summary | |
|---|---|
| Name | (4S)-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID |
| Synonyms | ECTOINE |
| Identifiers | (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid |
| Formula | C6 H10 N2 O2 |
| Molecular Weight | 142.156 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC1=N[C@@H](CCN1)C(=O)O |
| InChI | InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1 |
| InChIKey | WQXNXVUDBPYKBA-YFKPBYRVSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 20 |
| Chiral Atom Count | 1 |
| Bond Count | 20 |
| Aromatic Bond Count | 0 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 6993223, 137208342, 126041 |
| ChEMBL | CHEMBL1230264 |
| ChEBI | CHEBI:27592, CHEBI:58515 |
| CCDC/CSD | CUCSEB01, CUCSEB, CUDSEC |
