| PDB CCD ID: | UQW |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C17 H20 N2 O3 |
| InChI: | InChI=1S/C17H20N2O3/c1-3-15(22-16(20)4-2)17(21)18-10-9-12-11-19-14-8-6-5-7-13(12)14/h4-8,11,15,19H,2-3,9-10H2,1H3,(H,18,21)/t15-/m1/s1 |
| InChIKey: | UWYXREXKBLOKIU-OAHLLOKOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC[C@H](C(=O)NCCc1c[nH]c2c1cccc2)OC(=O)C=C | | CACTVS 3.385 | CC[C@@H](OC(=O)C=C)C(=O)NCCc1c[nH]c2ccccc12 | | OpenEye OEToolkits 2.0.7 | CCC(C(=O)NCCc1c[nH]c2c1cccc2)OC(=O)C=C | | CACTVS 3.385 | CC[CH](OC(=O)C=C)C(=O)NCCc1c[nH]c2ccccc12 |
|
| Name: | [(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate;
[(2~{R})-1-[2-(1~{H}-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate |
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