AOZ
Summary
| Name: | Histopine |
| Formula: | C9 H13 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 227.217 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-(1~{H}-imidazol-4-yl)-2-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H13N3O4/c1-5(8(13)14)12-7(9(15)16)2-6-3-10-4-11-6/h3-5,7,12H,2H2,1H3,(H,10,11)(H,13,14)(H,15,16)/t5-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | KEMGAOPOGGLPBQ-VDTYLAMSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N[C@@H](Cc1c[nH]cn1)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](N[CH](Cc1c[nH]cn1)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C(=O)O)NC(Cc1c[nH]cn1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C(=O)O)NC(Cc1c[nH]cn1)C(=O)O |
