SP7
Summary
| Name: | N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}acetamide |
| Synonyms: | S-N1-AcMeSpermidine |
| Formula: | C10 H23 N3 O |
| Formal charge: | 0 |
| Formula weight: | 201.309 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}acetamide |
| OpenEye OEToolkits | 1.5.0 | N-[(2S)-4-(4-aminobutylamino)butan-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(CCNCCCCN)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](CCNCCCCN)NC(C)=O |
| SMILES | CACTVS | 3.341 | C[CH](CCNCCCCN)NC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](CCNCCCCN)NC(=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(CCNCCCCN)NC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C10H23N3O/c1-9(13-10(2)14)5-8-12-7-4-3-6-11/h9,12H,3-8,11H2,1-2H3,(H,13,14)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | NCHUZACAGJBRLA-VIFPVBQESA-N |
