SY5
Summary
| Name: | 2-[[[(3~{R},5~{R})-3-azanyl-6-(3-azanylpropylamino)-5-oxidanyl-hexanoyl]amino]-methyl-amino]ethanoic acid |
| Synonyms: | N6-(3-aminopropyl)-negamycin |
| Formula: | C12 H27 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 305.374 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[[(3~{R},5~{R})-3-azanyl-6-(3-azanylpropylamino)-5-oxidanyl-hexanoyl]amino]-methyl-amino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H27N5O4/c1-17(8-12(20)21)16-11(19)6-9(14)5-10(18)7-15-4-2-3-13/h9-10,15,18H,2-8,13-14H2,1H3,(H,16,19)(H,20,21)/t9-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | VBFFWDLIKBQABV-NXEZZACHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CC(O)=O)NC(=O)C[C@H](N)C[C@@H](O)CNCCCN |
| SMILES | CACTVS | 3.385 | CN(CC(O)=O)NC(=O)C[CH](N)C[CH](O)CNCCCN |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CC(=O)O)NC(=O)C[C@@H](C[C@H](CNCCCN)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(CC(=O)O)NC(=O)CC(CC(CNCCCN)O)N |
