SP8
Summary
| Name: | N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide |
| Synonyms: | S-Bz-MeSpermidine |
| Formula: | C15 H25 N3 O |
| Formal charge: | 0 |
| Formula weight: | 263.378 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide |
| OpenEye OEToolkits | 1.5.0 | N-[(2S)-4-(4-aminobutylamino)butan-2-yl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(C)CCNCCCCN)c1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](CCNCCCCN)NC(=O)c1ccccc1 |
| SMILES | CACTVS | 3.341 | C[CH](CCNCCCCN)NC(=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](CCNCCCCN)NC(=O)c1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(CCNCCCCN)NC(=O)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C15H25N3O/c1-13(9-12-17-11-6-5-10-16)18-15(19)14-7-3-2-4-8-14/h2-4,7-8,13,17H,5-6,9-12,16H2,1H3,(H,18,19)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | UWDXTOVSVLCTLF-ZDUSSCGKSA-N |
