Thuricin 439B
AlkaPlorer ID: AK054717
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)CC(C)(O)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(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(=O)O)C(C)C)C(C)C
InChI: InChI=1S/C79H129N21O23S2/c1-35(2)23-48(70(113)87-43(16)66(109)91-50(32-101)68(111)83-28-55(104)82-29-57(106)95-61(38(7)8)77(120)99-64(41(13)14)78(121)122)90-75(118)63(40(11)12)98-76(119)60(37(5)6)94-53(102)25-79(18,123)100-58(107)31-84-69(112)51(33-124)92-65(108)42(15)86-56(105)30-85-73(116)59(36(3)4)96-72(115)52(34-125)93-67(110)44(17)88-74(117)62(39(9)10)97-71(114)49(89-54(103)26-80)24-45-27-81-47-22-20-19-21-46(45)47/h19-22,27,35-44,48-52,59-64,81,101,123-125H,23-26,28-34,80H2,1-18H3,(H,82,104)(H,83,111)(H,84,112)(H,85,116)(H,86,105)(H,87,113)(H,88,117)(H,89,103)(H,90,118)(H,91,109)(H,92,108)(H,93,110)(H,94,102)(H,95,106)(H,96,115)(H,97,114)(H,98,119)(H,99,120)(H,100,107)(H,121,122)/t42-,43-,44-,48-,49-,50-,51-,52-,59-,60-,61-,62-,63-,64-,79?/m0/s1
InChIKey: QQVGLSFLNORITR-CQYXIJSISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus thuringiensis | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1805.158999999999
TPSA?: 738.7800000000003
MolLogP?: 9.079900000000013
Number of H-Donors: 26
Number of H-Acceptors: 25
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|
