PDB CCD ID: | 092 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C13 H14 N2 O3 |
InChI: | InChI=1S/C13H14N2O3/c1-18-11(16)10-6-13(7-14-10)8-4-2-3-5-9(8)15-12(13)17/h2-5,10,14H,6-7H2,1H3,(H,15,17)/t10-,13-/m1/s1 |
InChIKey: | WBRZAMFFUKWSQR-ZWNOBZJWSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.370 | COC(=O)[CH]1C[C]2(CN1)C(=O)Nc3ccccc23 | ACDLabs 12.01 | O=C(OC)C3NCC1(c2c(NC1=O)cccc2)C3 | OpenEye OEToolkits 1.7.2 | COC(=O)C1CC2(CN1)c3ccccc3NC2=O | OpenEye OEToolkits 1.7.2 | COC(=O)[C@H]1C[C@@]2(CN1)c3ccccc3NC2=O | CACTVS 3.370 | COC(=O)[C@H]1C[C@]2(CN1)C(=O)Nc3ccccc23 |
|
Name: | methyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate |
ChEMBL: | CHEMBL2181997 |
ZINC: | ZINC000095580315 |