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 |