FN6
Summary
| Name: | (2S)-2-azanyl-4-[[(2R)-3-(1H-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid |
| Formula: | C10 H16 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 256.258 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H16N4O4/c11-7(9(15)16)1-2-13-8(10(17)18)3-6-4-12-5-14-6/h4-5,7-8,13H,1-3,11H2,(H,12,14)(H,15,16)(H,17,18)/t7-,8+/m0/s1 |
| InChIKey | InChI | 1.03 | PQUPEWJRDBYFHU-JGVFFNPUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCN[C@H](Cc1c[nH]cn1)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCN[CH](Cc1c[nH]cn1)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(nc[nH]1)C[C@H](C(=O)O)NCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(nc[nH]1)CC(C(=O)O)NCCC(C(=O)O)N |
