DPU
Summary
| Name: | MIXED CARBAMIC PHOSPHORIC ACID ANHYDRIDE OF 7,8-DIAMINONONANIC ACID |
| Formula: | C10 H21 N2 O7 P |
| Formal charge: | 0 |
| Formula weight: | 312.257 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (7R,8S)-8-amino-7-{[(phosphonooxy)carbonyl]amino}nonanoic acid |
| OpenEye OEToolkits | 1.5.0 | (7R,8S)-8-amino-7-(phosphonooxycarbonylamino)nonanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OP(=O)(O)O)NC(CCCCCC(=O)O)C(N)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](N)[C@@H](CCCCCC(O)=O)NC(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](N)[CH](CCCCCC(O)=O)NC(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)OP(=O)(O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(CCCCCC(=O)O)NC(=O)OP(=O)(O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H21N2O7P/c1-7(11)8(5-3-2-4-6-9(13)14)12-10(15)19-20(16,17)18/h7-8H,2-6,11H2,1H3,(H,12,15)(H,13,14)(H2,16,17,18)/t7-,8+/m0/s1 |
| InChIKey | InChI | 1.03 | UJJZZEABROBUCE-JGVFFNPUSA-N |
