Sansanmycin N
AlkaPlorer ID: AK040295
Synonym: None
IUPAC Name: (2S)-2-[[(2S)-1-[[(2S,3S)-1-[[(Z)-[(4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-3-[[(3S)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-methylamino]-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid
Structure
SMILES: CSCC[C@H](N=C(O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)O)C(O)=N[C@H](C(O)=N/C=C1/C[C@@H](O)[C@H](N2C=CC(O)=NC2=O)O1)[C@H](C)N(C)C(=O)[C@@H]1CC2=CC(O)=CC=C2CN1
InChI: InChI=1S/C41H49N9O11S/c1-21(49(2)37(56)30-15-23-14-25(51)9-8-22(23)18-43-30)34(36(55)44-20-26-17-32(52)38(61-26)50-12-10-33(53)47-41(50)60)48-35(54)29(11-13-62-3)45-40(59)46-31(39(57)58)16-24-19-42-28-7-5-4-6-27(24)28/h4-10,12,14,19-21,29-32,34,38,42-43,51-52H,11,13,15-18H2,1-3H3,(H,44,55)(H,48,54)(H,57,58)(H2,45,46,59)(H,47,53,60)/b26-20-/t21-,29-,30-,31-,32+,34-,38+/m0/s1
InChIKey: YFIDKVVEMUNOKN-IFKIKDRDSA-N
Reference
NRPS Substrate Promiscuity Leads to More Potent Antitubercular Sansanmycin Analogues
PubChem CID: 139586146
LOTUS: LTS0042714
{NPAtlas: NPA010973
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. SS | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 875.962
TPSA？: 300.04
MolLogP？: 2.4212000000000016
Number of H-Donors: 10
Number of H-Acceptors: 14
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|