UYG
Summary
| Name: | (3S,6S)-3-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione |
| Formula: | C16 H19 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 285.341 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S,6S)-3-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione |
| OpenEye OEToolkits | 2.0.7 | (3~{S},6~{S})-3-(1~{H}-indol-3-ylmethyl)-6-propan-2-yl-piperazine-2,5-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2cccc3c(CC1C(NC(C(=O)N1)C(C)C)=O)cnc23 |
| InChI | InChI | 1.03 | InChI=1S/C16H19N3O2/c1-9(2)14-16(21)18-13(15(20)19-14)7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,17H,7H2,1-2H3,(H,18,21)(H,19,20)/t13-,14-/m0/s1 |
| InChIKey | InChI | 1.03 | WNWCQIPRIITCPM-KBPBESRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |
| SMILES | CACTVS | 3.385 | CC(C)[CH]1NC(=O)[CH](Cc2c[nH]c3ccccc23)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[C@H]1C(=O)N[C@H](C(=O)N1)Cc2c[nH]c3c2cccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C1C(=O)NC(C(=O)N1)Cc2c[nH]c3c2cccc3 |
