dactimicin   

GtoPdb Ligand ID: 11001

Synonyms: Formimidoyl-fortimicin A | SF-2052 | SF2052
Comment: Dactimicin is an aminoglycoside antibiotic produced by Dactylosporangium matsuzakiense sp. nov.[1-2].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 6
Rotatable bonds 8
Topological polar surface area 204.9
Molecular weight 432.27
XLogP -4.21
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES CO[C@H]1[C@@H](O)[C@H](N)[C@H]([C@@H]([C@@H]1N(C(=O)CN=CN)C)O)O[C@H]1O[C@@H](CC[C@H]1N)[C@@H](N)C
Isomeric SMILES CO[C@H]1[C@@H](O)[C@H](N)[C@H]([C@@H]([C@@H]1N(C(=O)CN=CN)C)O)O[C@H]1O[C@@H](CC[C@H]1N)[C@@H](N)C
InChI InChI=1S/C18H36N6O6/c1-8(20)10-5-4-9(21)18(29-10)30-16-12(22)14(26)17(28-3)13(15(16)27)24(2)11(25)6-23-7-19/h7-10,12-18,26-27H,4-6,20-22H2,1-3H3,(H2,19,23)/t8-,9+,10-,12-,13-,14-,15+,16+,17+,18+/m0/s1
InChI Key VFBPKQSATYZKRX-WKEGKRRDSA-N
Classification
Compound class Natural product or derivative
IUPAC Name
N-[(1S,2R,3R,4S,5S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2,5-dihydroxy-6-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide
Synonyms
Formimidoyl-fortimicin A | SF-2052 | SF2052
Database Links
Specialist databases
AntibioticDB 889
Other databases
ChEBI CHEBI:81430
GtoPdb PubChem SID 405560442
PubChem CID 46174021
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