AHT
Summary
| Name: | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-PHENOL |
| Formula: | C11 H18 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 210.273 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(2R,5S)-2,5-diamino-5-hydroxypentyl]phenol |
| OpenEye OEToolkits | 1.7.0 | 4-[(2R)-2,5-bis(azanyl)-5-hydroxy-pentyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1ccc(cc1)CC(N)CCC(O)N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](O)CC[C@@H](N)Cc1ccc(O)cc1 |
| SMILES | CACTVS | 3.370 | N[CH](O)CC[CH](N)Cc1ccc(O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C[C@@H](CCC(N)O)N)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1CC(CCC(N)O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C11H18N2O2/c12-9(3-6-11(13)15)7-8-1-4-10(14)5-2-8/h1-2,4-5,9,11,14-15H,3,6-7,12-13H2/t9-,11+/m1/s1 |
| InChIKey | InChI | 1.03 | VTBBVHAOBBELOH-KOLCDFICSA-N |
