Thuricin 439A
AlkaPlorer ID: AK018481
Synonym: None
IUPAC Name: None
Structure
SMILES: CC(C)C[C@H](N=C(O)[C@@H](N=C(O)[C@@H](N=C(O)[C@@H](N=C(O)CN=C(O)[C@H](CS)N=C(O)[C@H](C)N=C(O)CN=C(O)[C@@H](N=C(O)[C@H](CS)N=C(O)[C@H](C)N=C(O)[C@@H](N=C(O)[C@H](CC1=CNC2=CC=CC=C12)N=C(O)CN)C(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](CO)C(O)=NCC(O)=NCC(O)=N[C@H](C(O)=N[C@H](C(=N)O)C(C)C)C(C)C
InChI: InChI=1S/C79H130N22O22S2/c1-34(2)23-48(71(115)88-42(16)67(111)92-50(31-102)69(113)84-27-54(105)83-28-56(107)95-60(37(7)8)77(121)97-58(35(3)4)65(81)109)91-76(120)62(39(11)12)100-78(122)63(40(13)14)101-79(123)64(44(18)103)96-57(108)30-85-70(114)51(32-124)93-66(110)41(15)87-55(106)29-86-74(118)59(36(5)6)98-73(117)52(33-125)94-68(112)43(17)89-75(119)61(38(9)10)99-72(116)49(90-53(104)25-80)24-45-26-82-47-22-20-19-21-46(45)47/h19-22,26,34-44,48-52,58-64,82,102-103,124-125H,23-25,27-33,80H2,1-18H3,(H2,81,109)(H,83,105)(H,84,113)(H,85,114)(H,86,118)(H,87,106)(H,88,115)(H,89,119)(H,90,104)(H,91,120)(H,92,111)(H,93,110)(H,94,112)(H,95,107)(H,96,108)(H,97,121)(H,98,117)(H,99,116)(H,100,122)(H,101,123)/t41-,42-,43-,44+,48-,49-,50-,51-,52-,58-,59-,60-,61-,62-,63-,64-/m0/s1
InChIKey: LCBKCUWHVJLAKY-SWDWMASZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus thuringiensis | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1804.174999999999
TPSA?: 745.5600000000004
MolLogP?: 9.181370000000006
Number of H-Donors: 27
Number of H-Acceptors: 25
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|
