None
AlkaPlorer ID: AK324343
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]4C(O)C(O)CN4C3=O)[C@@H](C)O)CSC2C)N=C(O)[C@H](CC(C)C)N=C1O
InChI: InChI=1S/C94H126ClN25O28S5/c1-9-50(106-90(144)71(96)42(4)5)78(132)112-59-36-151-38-61(114-80(134)52(22-41(2)3)107-76(130)43(6)103-79(133)54(109-85(59)139)24-47-27-98-51-18-17-48(95)25-49(47)51)87(141)118-73-45(8)153-40-62(105-69(126)31-101-89(143)64-16-13-20-119(64)94(73)148)88(142)117-72(44(7)121)91(145)116-63-39-152-37-60-86(140)115-58-33-149-21-19-97-77(131)56(111-81(135)53(108-84(58)138)23-46-14-11-10-12-15-46)34-150-35-57(83(137)110-55(26-70(127)128)82(136)113-60)104-68(125)30-100-66(123)28-99-67(124)29-102-92(146)74-75(129)65(122)32-120(74)93(63)147/h9-12,14-15,17-19,21,25,27,41-42,44-45,52-65,71-75,98,121-122,129H,6,13,16,20,22-24,26,28-40,96H2,1-5,7-8H3,(H,97,131)(H,99,124)(H,100,123)(H,101,143)(H,102,146)(H,103,133)(H,104,125)(H,105,126)(H,106,144)(H,107,130)(H,108,138)(H,109,139)(H,110,137)(H,111,135)(H,112,132)(H,113,136)(H,114,134)(H,115,140)(H,116,145)(H,117,142)(H,118,141)(H,127,128)/b21-19-,50-9-/t44-,45?,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65?,71+,72+,73+,74+,75?/m1/s1
InChIKey: HMBLRNOOKNBKOP-YYQXCDGESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microbispora sp. 107891 | Microbispora | Streptosporangiaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 2249.9769999999994
TPSA?: 864.8100000000005
MolLogP?: 7.673100000000016
Number of H-Donors: 27
Number of H-Acceptors: 33
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Enterococcus faecalis | Enterococcus faecalis | MIC | 1.0 | ug.mL-1 | 10.1021/np400702t |
| Enterococcus faecalis | Enterococcus faecalis | MIC | 2.0 | ug.mL-1 | 10.1021/np400702t |
| Enterococcus faecium | Enterococcus faecium | MIC | 4.0 | ug.mL-1 | 10.1021/np400702t |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.25 | ug.mL-1 | 10.1021/np400702t |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 1.0 | ug.mL-1 | 10.1021/np400702t |
| Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | 0.015 | ug.mL-1 | 10.1021/np400702t |
| Streptococcus pyogenes | Streptococcus pyogenes | MIC | 0.001 | ug.mL-1 | 10.1021/np400702t |
