AQQ
Summary
| Name: | (2~{S})-5-azanyl-2-[[(2~{R})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid |
| Formula: | C8 H16 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 204.224 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-5-azanyl-2-[[(2~{R})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H16N2O4/c1-5(7(11)12)10-6(8(13)14)3-2-4-9/h5-6,10H,2-4,9H2,1H3,(H,11,12)(H,13,14)/t5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | ZQKXJZFWRBQTIO-RITPCOANSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N[C@@H](CCCN)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](N[CH](CCCN)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](C(=O)O)N[C@@H](CCCN)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C(=O)O)NC(CCCN)C(=O)O |
