CB-182443
AlkaPlorer ID: AK030403
Synonym: None
IUPAC Name: None
Structure
SMILES: CCC(C)CCCCCCC(O)=N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=N[C@H](CCC(=O)O)C(O)=N[C@H](C(O)=N[C@@H]1C(=O)N(C)CC(O)=N[C@@H](C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@H](CCCCN)C(O)=N[C@@H](CC(=O)O)C(O)=NCC(O)=N[C@H](CC(=N)O)C(O)=NC(C(C)CC(=O)O)C(O)=N[C@@H](C(C)CC)C(=O)O[C@@H]1C)C(O)C(=N)O
InChI: InChI=1S/C73H111N17O26/c1-9-35(3)19-13-11-12-14-23-50(92)80-45(28-40-32-77-42-21-16-15-20-41(40)42)67(109)83-44(24-25-53(95)96)66(108)89-60(61(103)62(76)104)71(113)88-59-39(7)116-73(115)58(36(4)10-2)87-70(112)57(37(5)27-54(97)98)86-69(111)46(29-49(75)91)81-51(93)33-78-64(106)47(30-55(99)100)85-65(107)43(22-17-18-26-74)82-68(110)48(31-56(101)102)84-63(105)38(6)79-52(94)34-90(8)72(59)114/h15-16,20-21,32,35-39,43-48,57-61,77,103H,9-14,17-19,22-31,33-34,74H2,1-8H3,(H2,75,91)(H2,76,104)(H,78,106)(H,79,94)(H,80,92)(H,81,93)(H,82,110)(H,83,109)(H,84,105)(H,85,107)(H,86,111)(H,87,112)(H,88,113)(H,89,108)(H,95,96)(H,97,98)(H,99,100)(H,101,102)/t35?,36?,37?,38-,39+,43+,44+,45-,46+,47-,48-,57?,58-,59-,60-,61?/m0/s1
InChIKey: JRMHENSFGVGIDF-QTIDSXHJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces fradiae | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1642.784
TPSA?: 737.0900000000004
MolLogP?: 6.974940000000003
Number of H-Donors: 23
Number of H-Acceptors: 23
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|
