| PDB CCD ID: | V83 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H23 N O5 S |
| InChI: | InChI=1S/C19H23NO5S/c1-25-19(24)15-13-9-3-2-4-10-14(13)26-17(15)20-16(21)11-7-5-6-8-12(11)18(22)23/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,21)(H,22,23)/t11-,12-/m1/s1 |
| InChIKey: | ITTIIEUOMHMQAO-VXGBXAGGSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | COC(=O)c1c2c(sc1NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)CCCCC2 | | OpenEye OEToolkits 2.0.7 | COC(=O)c1c2c(sc1NC(=O)C3CC=CCC3C(=O)O)CCCCC2 | | CACTVS 3.385 | COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(O)=O)sc3CCCCCc13 | | ACDLabs 12.01 | O=C(O)C1CC=CCC1C(=O)Nc1sc2CCCCCc2c1C(=O)OC | | CACTVS 3.385 | COC(=O)c1c(NC(=O)[CH]2CC=CC[CH]2C(O)=O)sc3CCCCCc13 |
|
| Name: | (1R,6R)-6-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
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