NEG
Summary
| Name: | NEGAMYCIN |
| Synonyms: | 3,6-DIAMINO-1-[2-(CARBOXYMETHYL)-2-METHYLHYDRAZINO]-2,3,4,6-TETRADEOXY-L-THREO-HEXOSE |
| Formula: | C9 H20 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 248.279 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {2-[(3R,5R)-3,6-diamino-5-hydroxyhexanoyl]-1-methylhydrazino}acetic acid (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | 2-[[[(3R,5R)-3,6-diamino-5-hydroxy-hexanoyl]amino]-methyl-amino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CN(NC(=O)CC(N)CC(O)CN)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(CC(O)=O)NC(=O)C[C@H](N)C[C@@H](O)CN |
| SMILES | CACTVS | 3.341 | CN(CC(O)=O)NC(=O)C[CH](N)C[CH](O)CN |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N@@](CC(=O)O)NC(=O)C[C@@H](C[C@H](CN)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(CC(=O)O)NC(=O)CC(CC(CN)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H20N4O4/c1-13(5-9(16)17)12-8(15)3-6(11)2-7(14)4-10/h6-7,14H,2-5,10-11H2,1H3,(H,12,15)(H,16,17)/t6-,7-/m1/s1 |
| InChIKey | InChI | 1.03 | IKHFJPZQZVMLRH-RNFRBKRXSA-N |
