GG3
Summary
| Name: | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-1,1-DIYL}BIS(PHOSPHONIC ACID) |
| Formula: | C14 H25 N O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 381.298 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {1-hydroxy-3-[methyl(4-phenylbutyl)amino]propane-1,1-diyl}bis(phosphonic acid) |
| OpenEye OEToolkits | 1.5.0 | [1-hydroxy-3-(methyl-(4-phenylbutyl)amino)-1-phosphono-propyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)C(O)(P(=O)(O)O)CCN(C)CCCCc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(CCCCc1ccccc1)CCC(O)([P](O)(O)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | CN(CCCCc1ccccc1)CCC(O)([P](O)(O)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N@](CCCCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(CCCCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H25NO7P2/c1-15(11-6-5-9-13-7-3-2-4-8-13)12-10-14(16,23(17,18)19)24(20,21)22/h2-4,7-8,16H,5-6,9-12H2,1H3,(H2,17,18,19)(H2,20,21,22) |
| InChIKey | InChI | 1.03 | VFLFYDXGZMGUAF-UHFFFAOYSA-N |
