Sansanmycin G
AlkaPlorer ID: AK050046
Synonym: 'Sansanmycin G'
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-methyl-1-oxopentan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid
Structure
SMILES: CC(C)CC(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/C44H55N9O11/c1-22(2)15-31(47-42(62)48-33(41(60)61)18-25-20-45-30-10-8-7-9-28(25)30)37(57)50-36(38(58)46-21-27-19-34(55)40(64-27)53-14-13-35(56)49-43(53)63)23(3)52(6)39(59)32-17-24-16-26(54)11-12-29(24)44(4,5)51-32/h7-14,16,20-23,31-34,36,40,45,51,54-55H,15,17-19H2,1-6H3,(H,46,58)(H,50,57)(H,60,61)(H2,47,48,62)(H,49,56,63)/b27-21+/t23?,31?,32?,33?,34-,36?,40-/m1/s1
InChIKey: RNOSXLHLTATAOQ-UBZNAUPSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 885.976
TPSA？: 300.04
MolLogP？: 3.4493000000000045
Number of H-Donors: 10
Number of H-Acceptors: 13
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 |