| PDB CCD ID: | C8B |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C22 H22 N4 O5 |
| InChI: | InChI=1S/C22H22N4O5/c1-24-18(11-15-13-23-16-9-6-10-17(19(15)16)26(30)31)20(27)25(2)22(29,21(24)28)12-14-7-4-3-5-8-14/h3-10,13,18,23,29H,11-12H2,1-2H3/t18-,22+/m0/s1 |
| InChIKey: | PCCPGPMTZJOQFC-PGRDOPGGSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CN1C(C(=O)N(C(C1=O)(Cc2ccccc2)O)C)Cc3c[nH]c4c3c(ccc4)[N+](=O)[O-] | | CACTVS 3.385 | CN1[C@@H](Cc2c[nH]c3cccc(c23)[N+]([O-])=O)C(=O)N(C)[C@@](O)(Cc4ccccc4)C1=O | | OpenEye OEToolkits 2.0.6 | CN1[C@H](C(=O)N([C@](C1=O)(Cc2ccccc2)O)C)Cc3c[nH]c4c3c(ccc4)[N+](=O)[O-] | | CACTVS 3.385 | CN1[CH](Cc2c[nH]c3cccc(c23)[N+]([O-])=O)C(=O)N(C)[C](O)(Cc4ccccc4)C1=O |
|
| Name: | (3~{R},6~{S})-1,4-dimethyl-6-[(4-nitro-1~{H}-indol-3-yl)methyl]-3-oxidanyl-3-(phenylmethyl)piperazine-2,5-dione |
| ChEMBL: | CHEMBL2270639 |
| ZINC: | ZINC000014765775 |
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