WMA
Summary
| Name: | (3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione |
| Formula: | C15 H17 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 271.314 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione |
| OpenEye OEToolkits | 2.0.7 | (3~{S},6~{S})-3-ethyl-6-(1~{H}-indol-3-ylmethyl)piperazine-2,5-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c3ccccc3c(CC1C(NC(C(=O)N1)CC)=O)c2 |
| InChI | InChI | 1.03 | InChI=1S/C15H17N3O2/c1-2-11-14(19)18-13(15(20)17-11)7-9-8-16-12-6-4-3-5-10(9)12/h3-6,8,11,13,16H,2,7H2,1H3,(H,17,20)(H,18,19)/t11-,13-/m0/s1 |
| InChIKey | InChI | 1.03 | BLROIZPIUOLTDB-AAEUAGOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |
| SMILES | CACTVS | 3.385 | CC[CH]1NC(=O)[CH](Cc2c[nH]c3ccccc23)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H]1C(=O)N[C@H](C(=O)N1)Cc2c[nH]c3c2cccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC1C(=O)NC(C(=O)N1)Cc2c[nH]c3c2cccc3 |
