| PDB CCD ID: | UBA |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C14 H15 N3 O6 S |
| InChI: | InChI=1S/C14H15N3O6S/c1-7-4-16(6-9(15)12(19)20)14(23)17(11(7)18)5-8-2-3-24-10(8)13(21)22/h2-4,9H,5-6,15H2,1H3,(H,19,20)(H,21,22)/t9-/m0/s1 |
| InChIKey: | ZTAZUCRXCRXNSU-VIFPVBQESA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | CC1=CN(C(=O)N(C1=O)Cc2ccsc2C(=O)O)C[C@@H](C(=O)O)N | | CACTVS 3.341 | CC1=CN(C[C@H](N)C(O)=O)C(=O)N(Cc2ccsc2C(O)=O)C1=O | | CACTVS 3.341 | CC1=CN(C[CH](N)C(O)=O)C(=O)N(Cc2ccsc2C(O)=O)C1=O | | OpenEye OEToolkits 1.5.0 | CC1=CN(C(=O)N(C1=O)Cc2ccsc2C(=O)O)CC(C(=O)O)N | | ACDLabs 10.04 | O=C(O)C(N)CN1C(=O)N(C(=O)C(=C1)C)Cc2c(scc2)C(=O)O |
|
| Name: | (S)-1-(2-AMINO-2-CARBOXYETHYL)-3(2-CARBOXYTHIOPHENE-3-YL-METHYL)-5-METHYLPYRIMIDINE-2,4-DIONE |
| ChEMBL: | CHEMBL373428 |
| ZINC: | ZINC000016052001 |
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