RZY
Summary
| Name: | (2~{S})-2-[[[(1~{S})-1-acetamidoethyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid |
| Formula: | C10 H19 N O10 P2 |
| Formal charge: | 0 |
| Formula weight: | 375.206 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[[[(1~{S})-1-acetamidoethyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H19NO10P2/c1-6(12)11-7(2)22(17,21-23(18,19)20)5-8(10(15)16)3-4-9(13)14/h7-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)(H2,18,19,20)/t7-,8+,22+/m0/s1 |
| InChIKey | InChI | 1.03 | LWXGQCMUFYLATN-GADVLXDNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NC(C)=O)[P@@](=O)(C[C@@H](CCC(O)=O)C(O)=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](NC(C)=O)[P](=O)(C[CH](CCC(O)=O)C(O)=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](NC(=O)C)[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(NC(=O)C)P(=O)(CC(CCC(=O)O)C(=O)O)OP(=O)(O)O |
