| PDB CCD ID: | NEG |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C9 H20 N4 O4 |
| InChI: | 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: | IKHFJPZQZVMLRH-RNFRBKRXSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=C(O)CN(NC(=O)CC(N)CC(O)CN)C | | OpenEye OEToolkits 1.5.0 | C[N@@](CC(=O)O)NC(=O)C[C@@H](C[C@H](CN)O)N | | CACTVS 3.341 | CN(CC(O)=O)NC(=O)C[C@H](N)C[C@@H](O)CN | | CACTVS 3.341 | CN(CC(O)=O)NC(=O)C[CH](N)C[CH](O)CN | | OpenEye OEToolkits 1.5.0 | CN(CC(=O)O)NC(=O)CC(CC(CN)O)N |
|
| Name: | NEGAMYCIN;
3,6-DIAMINO-1-[2-(CARBOXYMETHYL)-2-METHYLHYDRAZINO]-2,3,4,6-TETRADEOXY-L-THREO-HEXOSE |
| ChEMBL: | CHEMBL78628 |
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