6FY
Summary
| Name: | (2~{S})-2-azanyl-4-[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-butan-2-yl]oxyphosphonoyl-butanoic acid |
| Formula: | C10 H19 N2 O7 P |
| Formal charge: | 0 |
| Formula weight: | 310.241 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (2~{S})-2-azanyl-4-[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-butan-2-yl]oxyphosphonoyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H19N2O7P/c1-2-7(9(15)12-5-8(13)14)19-20(18)4-3-6(11)10(16)17/h6-7,20H,2-5,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)/t6-,7+/m0/s1 |
| InChIKey | InChI | 1.03 | ZHBIUULHWXYKFH-NKWVEPMBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](O[P@H](=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](O[PH](=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC[C@H](C(=O)NCC(=O)O)O[P@H](=O)CC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.5 | CCC(C(=O)NCC(=O)O)OP(=O)CCC(C(=O)O)N |
