| PDB CCD ID: | DVR |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H15 N3 O6 S |
| InChI: | InChI=1S/C16H15N3O6S/c17-13(21)5-4-10(9-26(24)25)14(16(22)23)18-15-11(8-20)7-12-3-1-2-6-19(12)15/h1-8,18,26H,9H2,(H2,17,21)(H,22,23)/b5-4+,14-10- |
| InChIKey: | ARSFRLAHCNFFCE-IBXIYJDRSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1ccn2c(c1)cc(c2NC(=C(CS(=O)=O)C=CC(=O)N)C(=O)O)C=O | | ACDLabs 10.04 | O=S(=O)CC(\C=C\C(=O)N)=C(\C(=O)O)Nc2c(cc1ccccn12)C=O | | CACTVS 3.341 | NC(=O)\C=C\C(C[SH](=O)=O)=C(\Nc1n2ccccc2cc1C=O)C(O)=O | | OpenEye OEToolkits 1.5.0 | c1ccn2c(c1)cc(c2N/C(=C(\CS(=O)=O)/C=CC(=O)N)/C(=O)O)C=O | | CACTVS 3.341 | NC(=O)C=CC(C[SH](=O)=O)=C(Nc1n2ccccc2cc1C=O)C(O)=O |
|
| Name: | 3-(4-CARBAMOYL-1-CARBOXY-2-METHYLSULFONYL-BUTA-1,3-DIENYLAMINO)-INDOLIZINE-2-CARBOXYLIC ACID |
| DrugBank: | DB02876 |
| ZINC: | ZINC000150339198 |
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