Sansanmycin M
AlkaPlorer ID: AK040283
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)-8-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-methylamino]-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid
Structure
SMILES: C[C@@H]([C@H](N=C(O)[C@H](CC1=CC=CC=C1)N=C(O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)O)C(O)=N/C=C1/C[C@@H](O)[C@H](N2C=CC(O)=NC2=O)O1)N(C)C(=O)[C@@H]1CC2=CC=CC(O)=C2CN1
InChI: InChI=1S/C45H49N9O11/c1-24(53(2)41(60)33-18-26-11-8-14-35(55)30(26)23-47-33)38(40(59)48-22-28-20-36(56)42(65-28)54-16-15-37(57)51-45(54)64)52-39(58)32(17-25-9-4-3-5-10-25)49-44(63)50-34(43(61)62)19-27-21-46-31-13-7-6-12-29(27)31/h3-16,21-22,24,32-34,36,38,42,46-47,55-56H,17-20,23H2,1-2H3,(H,48,59)(H,52,58)(H,61,62)(H2,49,50,63)(H,51,57,64)/b28-22-/t24-,32-,33-,34-,36+,38-,42+/m0/s1
InChIKey: XOMFHWAXLKANEU-BZXCDBCKSA-N
Reference
NRPS Substrate Promiscuity Leads to More Potent Antitubercular Sansanmycin Analogues
PubChem CID: 139585267
LOTUS: LTS0101506
{NPAtlas: NPA007787
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. SS | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 891.939
TPSA？: 300.04
MolLogP？: 2.910800000000002
Number of H-Donors: 10
Number of H-Acceptors: 13
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|