Sansanmycin J
AlkaPlorer ID: AK033101
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-(4-hydroxyphenyl)propanoic acid
Structure
SMILES: CSCC[C@H](N=C(O)N[C@@H](CC1=CC=C(O)C=C1)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/C39H48N8O12S/c1-20(46(2)35(54)28-16-23-15-25(49)9-6-22(23)18-40-28)32(34(53)41-19-26-17-30(50)36(59-26)47-12-10-31(51)44-39(47)58)45-33(52)27(11-13-60-3)42-38(57)43-29(37(55)56)14-21-4-7-24(48)8-5-21/h4-10,12,15,19-20,27-30,32,36,40,48-50H,11,13-14,16-18H2,1-3H3,(H,41,53)(H,45,52)(H,55,56)(H2,42,43,57)(H,44,51,58)/b26-19-/t20-,27-,28-,29-,30+,32-,36+/m0/s1
InChIKey: WYJXDKVIFSVYLG-VVPUSWRQSA-N
Reference
NRPS Substrate Promiscuity Leads to More Potent Antitubercular Sansanmycin Analogues
PubChem CID: 139588228
LOTUS: LTS0105430
{NPAtlas: NPA018442
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. SS | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 852.924
TPSA？: 304.48
MolLogP？: 1.6455000000000015
Number of H-Donors: 10
Number of H-Acceptors: 15
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|