None
AlkaPlorer ID: AK324340
Synonym: None
IUPAC Name: None
Structure
SMILES: C=C1N=C(O)[C@H](CC2=CNC3=CC=C(Cl)C=C23)N=C(O)[C@@H](N=C(O)/C(=C/C)N=C(O)[C@@H](N)C(C)C)CSC[C@@H](C(O)=N[C@@H]2C(=O)N3CCC[C@H]3C(O)=NCC(O)=N[C@H](C(O)=N[C@H](C(O)=N[C@H]3CSC[C@@H]4N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CSC[C@@H]5N=C(O)[C@H](CC6=CC=CC=C6)N=C(O)[C@H](CS/C=C\N=C5O)N=C4O)N=C(O)CN=C(O)CN=C(O)CN=C(O)[C@@H]4CCCN4C3=O)[C@@H](C)O)CSC2C)N=C(O)[C@H](CC(C)C)N=C1O
InChI: InChI=1S/C94H126ClN25O26S5/c1-9-52(106-91(143)73(96)44(4)5)78(130)112-61-38-149-40-63(114-80(132)54(25-43(2)3)107-76(128)45(6)103-79(131)56(109-85(61)137)27-49-30-98-53-20-19-50(95)28-51(49)53)87(139)118-75-47(8)151-42-64(105-71(125)34-102-90(142)67-18-14-23-120(67)94(75)146)88(140)117-74(46(7)121)92(144)116-65-41-150-39-62-86(138)115-60-35-147-24-21-97-77(129)58(111-81(133)55(108-84(60)136)26-48-15-11-10-12-16-48)36-148-37-59(83(135)110-57(29-72(126)127)82(134)113-62)104-70(124)33-100-68(122)31-99-69(123)32-101-89(141)66-17-13-22-119(66)93(65)145/h9-12,15-16,19-21,24,28,30,43-44,46-47,54-67,73-75,98,121H,6,13-14,17-18,22-23,25-27,29,31-42,96H2,1-5,7-8H3,(H,97,129)(H,99,123)(H,100,122)(H,101,141)(H,102,142)(H,103,131)(H,104,124)(H,105,125)(H,106,143)(H,107,128)(H,108,136)(H,109,137)(H,110,135)(H,111,133)(H,112,130)(H,113,134)(H,114,132)(H,115,138)(H,116,144)(H,117,140)(H,118,139)(H,126,127)/b24-21-,52-9-/t46-,47?,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,73+,74+,75+/m1/s1
InChIKey: WURANJMKYPYVRB-QKJBSKPHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microbispora sp. 107891 | Microbispora | Streptosporangiaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 2217.979
TPSA?: 824.3500000000005
MolLogP?: 9.731500000000011
Number of H-Donors: 25
Number of H-Acceptors: 31
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Enterococcus faecalis | Enterococcus faecalis | MIC | 4.0 | ug.mL-1 | 10.1021/np400702t |
| Enterococcus faecalis | Enterococcus faecalis | MIC | 8.0 | ug.mL-1 | 10.1021/np400702t |
| Enterococcus faecium | Enterococcus faecium | MIC | 8.0 | ug.mL-1 | 10.1021/np400702t |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.5 | ug.mL-1 | 10.1021/np400702t |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 4.0 | ug.mL-1 | 10.1021/np400702t |
| Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | 0.03 | ug.mL-1 | 10.1021/np400702t |
| Streptococcus pyogenes | Streptococcus pyogenes | MIC | 0.001 | ug.mL-1 | 10.1021/np400702t |
