| PDB CCD ID: | NQ7 |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C13 H13 N3 O2 |
| InChI: | InChI=1S/C13H13N3O2/c1-7(11-12(17)16-13(14)18-11)9-6-15-10-5-3-2-4-8(9)10/h2-7,11,15H,1H3,(H2,14,16,17)/t7-,11+/m1/s1 |
| InChIKey: | JMQXZRUQJGJVSC-HQJQHLMTSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C[C@H](c1c[nH]c2c1cccc2)[C@H]3C(=O)N=C(O3)N | | CACTVS 3.385 | C[CH]([CH]1OC(=NC1=O)N)c2c[nH]c3ccccc23 | | ACDLabs 12.01 | c2cccc3ncc(C(C)C1C(=O)N=C(O1)N)c23 | | CACTVS 3.385 | C[C@@H]([C@@H]1OC(=NC1=O)N)c2c[nH]c3ccccc23 | | OpenEye OEToolkits 2.0.7 | CC(c1c[nH]c2c1cccc2)C3C(=O)N=C(O3)N |
|
| Name: | (5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one |
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