| PDB CCD ID: | Y17 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H21 N3 O2 |
| InChI: | InChI=1S/C18H21N3O2/c1-20-11-12(10-16(20)22)7-9-21-14-5-3-2-4-13(14)17-15(21)6-8-19-18(17)23/h2-5,12H,6-11H2,1H3,(H,19,23)/t12-/m1/s1 |
| InChIKey: | XRGIYTXHLNRAGY-GFCCVEGCSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CN1C[CH](CCn2c3CCNC(=O)c3c4ccccc24)CC1=O | | ACDLabs 12.01 | CN4C(CC(CCn3c1c(cccc1)c2C(NCCc23)=O)C4)=O | | OpenEye OEToolkits 2.0.7 | CN1CC(CC1=O)CCn2c3ccccc3c4c2CCNC4=O | | OpenEye OEToolkits 2.0.7 | CN1C[C@@H](CC1=O)CCn2c3ccccc3c4c2CCNC4=O | | CACTVS 3.385 | CN1C[C@H](CCn2c3CCNC(=O)c3c4ccccc24)CC1=O |
|
| Name: | 5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one |
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