Antibiotic KB 425796; Antibiotic KB 425796C
AlkaPlorer ID: AK288484
Synonym: KB 425796C
IUPAC Name: 2-[9-(3-aminopropyl)-34-[3-(carbamoylamino)propyl]-31-[(5-hydroxy-1H-indol-3-yl)methyl]-6-(1H-imidazol-5-ylmethyl)-25-(1H-indol-3-ylmethyl)-13-(12-methyltridecyl)-2,5,8,11,15,18,21,24,27,30,33,36,39-tridecaoxo-3,19-di(propan-2-yl)-14-oxa-1,4,7,10,17,20,23,26,29,32,35,38-dodecazabicyclo[38.3.0]tritetracontan-16-yl]acetic acid
Structure
SMILES: CC(C)CCCCCCCCCCCC1CC(=O)NC(CCCN)C(=O)NC(CC2=CNC=N2)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)NCC(=O)NC(CCCNC(N)=O)C(=O)NC(CC2=CNC3=CC=C(O)C=C23)C(=O)NCC(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)O1
InChI: InChI=1S/C81H119N19O18/c1-46(2)21-14-12-10-8-7-9-11-13-15-22-53-37-65(102)92-58(25-18-30-82)74(110)96-62(35-51-41-84-45-91-51)76(112)99-71(48(5)6)79(115)100-32-20-27-64(100)77(113)90-43-66(103)93-59(26-19-31-85-81(83)117)75(111)95-61(34-50-40-87-57-29-28-52(101)36-55(50)57)73(109)88-42-67(104)94-60(33-49-39-86-56-24-17-16-23-54(49)56)72(108)89-44-68(105)98-70(47(3)4)78(114)97-63(38-69(106)107)80(116)118-53/h16-17,23-24,28-29,36,39-41,45-48,53,58-64,70-71,86-87,101H,7-15,18-22,25-27,30-35,37-38,42-44,82H2,1-6H3,(H,84,91)(H,88,109)(H,89,108)(H,90,113)(H,92,102)(H,93,103)(H,94,104)(H,95,111)(H,96,110)(H,97,114)(H,98,105)(H,99,112)(H,106,107)(H3,83,85,117)
InChIKey: KKRKAVCNQZMAER-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Paenibacillus sp. | Paenibacillus | Paenibacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1646.958
TPSA？: 565.64
MolLogP？: 1.560499999999971
Number of H-Donors: 19
Number of H-Acceptors: 19
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|