CB-182130
AlkaPlorer ID: AK030468
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(CCC(=O)O)C(O)=N[C@@H](C(C)CC)C(=O)O[C@@H]1C)C(O)C(=O)O
InChI: InChI=1S/C72H108N16O27/c1-8-35(3)18-12-10-11-13-22-50(90)78-45(28-39-32-75-41-20-15-14-19-40(39)41)66(107)81-44(24-26-54(95)96)65(106)87-59(60(101)71(112)113)69(110)86-58-38(6)115-72(114)57(36(4)9-2)85-64(105)43(23-25-53(93)94)82-67(108)46(29-49(74)89)79-51(91)33-76-62(103)47(30-55(97)98)84-63(104)42(21-16-17-27-73)80-68(109)48(31-56(99)100)83-61(102)37(5)77-52(92)34-88(7)70(58)111/h14-15,19-20,32,35-38,42-48,57-60,75,101H,8-13,16-18,21-31,33-34,73H2,1-7H3,(H2,74,89)(H,76,103)(H,77,92)(H,78,90)(H,79,91)(H,80,109)(H,81,107)(H,82,108)(H,83,102)(H,84,104)(H,85,105)(H,86,110)(H,87,106)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H,112,113)/t35?,36?,37-,38+,42+,43?,44+,45-,46+,47-,48-,57-,58-,59-,60?/m0/s1
InChIKey: QQFZPBYCPGSPQM-QFDKOERDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces fradiae | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1629.7410000000002
TPSA?: 730.3100000000004
MolLogP?: 6.278270000000003
Number of H-Donors: 22
Number of H-Acceptors: 23
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|
