Sansanmycin F
AlkaPlorer ID: AK055296
Synonym: 'Sansanmycin F'
IUPAC Name: 2-[[1-[[1-[[(E)-[(4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-3-[(6-hydroxy-1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carbonyl)-methylamino]-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid
Structure
SMILES: CSCCC(N=C(O)NC(CC1=CNC2=CC=CC=C12)C(=O)O)C(O)=NC(C(O)=N/C=C1\C[C@@H](O)[C@H](N2C=CC(O)=NC2=O)O1)C(C)N(C)C(=O)C1CC2=CC(O)=CC=C2C(C)(C)N1
InChI: InChI=1S/C43H53N9O11S/c1-22(51(4)38(58)31-17-23-16-25(53)10-11-28(23)43(2,3)50-31)35(37(57)45-21-26-19-33(54)39(63-26)52-14-12-34(55)48-42(52)62)49-36(56)30(13-15-64-5)46-41(61)47-32(40(59)60)18-24-20-44-29-9-7-6-8-27(24)29/h6-12,14,16,20-22,30-33,35,39,44,50,53-54H,13,15,17-19H2,1-5H3,(H,45,57)(H,49,56)(H,59,60)(H2,46,47,61)(H,48,55,62)/b26-21+/t22?,30?,31?,32?,33-,35?,39-/m1/s1
InChIKey: QPTYHBWZLVOTNW-JPBMKOMKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 904.016
TPSA？: 300.04
MolLogP？: 3.1563000000000025
Number of H-Donors: 10
Number of H-Acceptors: 14
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 16.0 | ug.mL-1 | 10.1016/j.ejmech.2011.12.029 |