PA9
Summary
| Name: | N~2~-acetyl-N~5~-(phosphonoacetyl)-L-ornithine |
| Formula: | C9 H17 N2 O7 P |
| Formal charge: | 0 |
| Formula weight: | 296.214 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N~2~-acetyl-N~5~-(phosphonoacetyl)-L-ornithine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-acetamido-5-(2-phosphonoethanoylamino)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCCCC(C(=O)O)NC(=O)C)CP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@@H](CCCNC(=O)C[P](O)(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)N[CH](CCCNC(=O)C[P](O)(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@@H](CCCNC(=O)CP(=O)(O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC(CCCNC(=O)CP(=O)(O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H17N2O7P/c1-6(12)11-7(9(14)15)3-2-4-10-8(13)5-19(16,17)18/h7H,2-5H2,1H3,(H,10,13)(H,11,12)(H,14,15)(H2,16,17,18)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | KUGZSRGMHASJIM-ZETCQYMHSA-N |
