PAO
Summary
| Name: | N-(PHOSPHONOACETYL)-L-ORNITHINE |
| Formula: | C7 H15 N2 O6 P |
| Formal charge: | 0 |
| Formula weight: | 254.178 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N~5~-(phosphonoacetyl)-L-ornithine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-5-(2-phosphonoethanoylamino)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCCCC(C(=O)O)N)CP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCCNC(=O)C[P](O)(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCCNC(=O)C[P](O)(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C[C@@H](C(=O)O)N)CNC(=O)CP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(C(=O)O)N)CNC(=O)CP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H15N2O6P/c8-5(7(11)12)2-1-3-9-6(10)4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H2,13,14,15)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | FCIHAQFHXJOLIF-YFKPBYRVSA-N |
