PUW
Summary
| Name: | N-(PHOSPHONOACETYL)-PUTRESCINE |
| Formula: | C6 H15 N2 O4 P |
| Formal charge: | 0 |
| Formula weight: | 210.168 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {2-[(4-aminobutyl)amino]-2-oxoethyl}phosphonic acid |
| OpenEye OEToolkits | 1.7.6 | [2-(4-azanylbutylamino)-2-oxidanylidene-ethyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCCCCN)CP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H15N2O4P/c7-3-1-2-4-8-6(9)5-13(10,11)12/h1-5,7H2,(H,8,9)(H2,10,11,12) |
| InChIKey | InChI | 1.03 | VJPDOEGJBRLVCO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NCCCCNC(=O)C[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | NCCCCNC(=O)C[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CCNC(=O)CP(=O)(O)O)CN |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CCNC(=O)CP(=O)(O)O)CN |
