PDB CCD ID: | 095 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C17 H20 N2 O4 |
InChI: | InChI=1S/C17H20N2O4/c20-15(23-11-5-7-22-8-6-11)14-9-17(10-18-14)12-3-1-2-4-13(12)19-16(17)21/h1-4,11,14,18H,5-10H2,(H,19,21)/t14-,17-/m1/s1 |
InChIKey: | HIOAPSYSJQPIRC-RHSMWYFYSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.7.2 | c1ccc2c(c1)C3(CC(NC3)C(=O)OC4CCOCC4)C(=O)N2 | OpenEye OEToolkits 1.7.2 | c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OC4CCOCC4)C(=O)N2 | CACTVS 3.370 | O=C(OC1CCOCC1)[CH]2C[C]3(CN2)C(=O)Nc4ccccc34 | CACTVS 3.370 | O=C(OC1CCOCC1)[C@H]2C[C@]3(CN2)C(=O)Nc4ccccc34 | ACDLabs 12.01 | O=C(OC1CCOCC1)C4NCC3(c2ccccc2NC3=O)C4 |
|
Name: | tetrahydro-2H-pyran-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate |
ChEMBL: | CHEMBL2181998 |
ZINC: | ZINC000095577682 |