A1LYE
(3~{S},6~{S})-3-(1~{H}-imidazol-4-ylmethyl)-6-propan-2-yl-piperazine-2,5-dione
Created: | 2024-02-16 |
Last modified: | 2025-02-05 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 33 |
Chiral Atom Count | 2 |
Bond Count | 34 |
Aromatic Bond Count | 5 |
Chemical Component Summary | |
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Name | (3~{S},6~{S})-3-(1~{H}-imidazol-4-ylmethyl)-6-propan-2-yl-piperazine-2,5-dione |
Systematic Name (OpenEye OEToolkits) | (3~{S},6~{S})-3-(1~{H}-imidazol-4-ylmethyl)-6-propan-2-yl-piperazine-2,5-dione |
Formula | C11 H16 N4 O2 |
Molecular Weight | 236.27 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CC(C)[CH]1NC(=O)[CH](Cc2c[nH]cn2)NC1=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C1C(=O)NC(C(=O)N1)Cc2c[nH]cn2 |
Canonical SMILES | CACTVS | 3.385 | CC(C)[C@@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC1=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)[C@H]1C(=O)N[C@H](C(=O)N1)Cc2c[nH]cn2 |
InChI | InChI | 1.06 | InChI=1S/C11H16N4O2/c1-6(2)9-11(17)14-8(10(16)15-9)3-7-4-12-5-13-7/h4-6,8-9H,3H2,1-2H3,(H,12,13)(H,14,17)(H,15,16)/t8-,9-/m0/s1 |
InChIKey | InChI | 1.06 | CNEIXWVYFRHWEJ-IUCAKERBSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 14132661 |