6A0
Summary
| Name: | (2S)-2-amino-8-(hydroxyamino)-8-oxooctanoic acid |
| Formula: | C8 H16 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 204.224 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-8-(hydroxyamino)-8-oxooctanoic acid |
| OpenEye OEToolkits | 2.0.4 | (2~{S})-2-azanyl-8-(oxidanylamino)-8-oxidanylidene-octanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C(O)=O)CCCCCC(NO)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H16N2O4/c9-6(8(12)13)4-2-1-3-5-7(11)10-14/h6,14H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | RDQUMSJVLRPKKZ-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCCC(=O)NO)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCCC(=O)NO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C(CC[C@@H](C(=O)O)N)CCC(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.4 | C(CCC(C(=O)O)N)CCC(=O)NO |
