8V3
Summary
| Name: | (2~{S})-2-(3-azanylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid |
| Formula: | C10 H16 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 240.259 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-(3-azanylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | MYYIAHXIVFADCU-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cncc1C[C@H](NC(=O)CCN)C(O)=O |
| SMILES | CACTVS | 3.385 | Cn1cncc1C[CH](NC(=O)CCN)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1cncc1C[C@@H](C(=O)O)NC(=O)CCN |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1cncc1CC(C(=O)O)NC(=O)CCN |
