PSQ
Summary
| Name: | NDELTA-(N'-SULPHODIAMINOPHOSPHINYL)-L-ORNITHINE |
| Formula: | C5 H15 N4 O6 P S |
| Formal charge: | 0 |
| Formula weight: | 290.235 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N~5~-[(R)-amino(sulfoamino)phosphoryl]-L-ornithine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-5-[[amino-(sulfoamino)phosphoryl]amino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(NCCCC(C(=O)O)N)(NS(=O)(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCCN[P@@](N)(=O)N[S](O)(=O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCCN[P](N)(=O)N[S](O)(=O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C[C@@H](C(=O)O)N)CN[P@](=O)(N)NS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(C(=O)O)N)CNP(=O)(N)NS(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H15N4O6PS/c6-4(5(10)11)2-1-3-8-16(7,12)9-17(13,14)15/h4H,1-3,6H2,(H,10,11)(H,13,14,15)(H4,7,8,9,12)/t4-,16+/m0/s1 |
| InChIKey | InChI | 1.03 | MDGVOXPIIICZEK-FOIQGAMDSA-N |
