BBC
Summary
| Name: | 3-[(4-AMINOBUTYL)SULFINYL]-2-IMINOPROPAN-1-OL |
| Formula: | C7 H16 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 192.279 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2E)-3-[(S)-(4-aminobutyl)sulfinyl]-2-iminopropan-1-ol |
| OpenEye OEToolkits | 1.5.0 | 3-[(S)-4-aminobutylsulfinyl]-2-imino-propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(CC(=[N@H])CO)CCCCN |
| InChI | InChI | 1.03 | InChI=1S/C7H16N2O2S/c8-3-1-2-4-12(11)6-7(9)5-10/h9-10H,1-6,8H2/b9-7+/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | VUEASHHOUFPCLO-CRALRDPISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCC[S@](=O)CC(=N)CO |
| SMILES | CACTVS | 3.385 | NCCCC[S](=O)CC(=N)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | [H]/N=C(\CO)/C[S@@](=O)CCCCN |
| SMILES | OpenEye OEToolkits | 1.7.5 | C(CCS(=O)CC(=N)CO)CN |
