5KC
Summary
| Name: | (2S,3S)-2-azanyl-4-(2-hydroxy-2-oxoethylamino)-3-oxidanyl-butanoic acid |
| Formula: | C6 H12 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 192.17 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S})-2-azanyl-4-(2-hydroxy-2-oxoethylamino)-3-oxidanyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H12N2O5/c7-5(6(12)13)3(9)1-8-2-4(10)11/h3,5,8-9H,1-2,7H2,(H,10,11)(H,12,13)/t3-,5-/m0/s1 |
| InChIKey | InChI | 1.03 | ITNGKQLAUYSKRS-UCORVYFPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]([C@@H](O)CNCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH]([CH](O)CNCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]([C@@H](C(=O)O)N)O)NCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C(C(C(=O)O)N)O)NCC(=O)O |
