| PDB CCD ID: | SY5 |
| Number of entries in FURNA: | 2 |
| Chemical formula: | C12 H27 N5 O4 |
| InChI: | 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: | VBFFWDLIKBQABV-NXEZZACHSA-N |
| SMILES: | CN(CC(=O)O)NC(=O)CC(CC(CNCCCN)O)N; CN(CC(=O)O)NC(=O)C[C@@H](C[C@H](CNCCCN)O)N; CN(CC(O)=O)NC(=O)C[CH](N)C[CH](O)CNCCCN; CN(CC(O)=O)NC(=O)C[C@H](N)C[C@@H](O)CNCCCN |
| Name: | 2-[[[(3~{R},5~{R})-3-azanyl-6-(3-azanylpropylamino)-5-oxidanyl-hexanoyl]amino]-methyl-amino]ethanoic acid; N6-(3-aminopropyl)-negamycin |
| ChEMBL: | CHEMBL3621799 |
| ZINC: | ZINC000473123282 |
Reference: