1OV
Summary
| Name: | [(1R)-1-amino-4-carbamimidamidobutyl]phosphonic acid |
| Formula: | C5 H15 N4 O3 P |
| Formal charge: | 0 |
| Formula weight: | 210.171 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1R)-1-amino-4-carbamimidamidobutyl]phosphonic acid |
| OpenEye OEToolkits | 1.7.6 | [(1R)-1-azanyl-4-carbamimidamido-butyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)C(N)CCCNC(=[N@H])N |
| InChI | InChI | 1.03 | InChI=1S/C5H15N4O3P/c6-4(13(10,11)12)2-1-3-9-5(7)8/h4H,1-3,6H2,(H4,7,8,9)(H2,10,11,12)/t4-/m1/s1 |
| InChIKey | InChI | 1.03 | MMEPWCMDQUSOLC-SCSAIBSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CCCNC(N)=N)[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CCCNC(N)=N)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(/N)\NCCC[C@H](N)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CC(N)P(=O)(O)O)CNC(=N)N |
