(2E,4E,6E,8E,10E,12E,14E,16E)-N-[(3S,6S,9R,10S,13R,16S,21aS)-6-(2-carbamoylethyl)-3,9,13-trimethyl-16-(2-methylpropyl)-1,4,7,11,14,17-hexaoxo-tetradecahydropyrrolo[2,1-i]1-oxa-4,7,10,13,16-pentaazacyclononadecan-10-yl]-N-methyloctadeca-2,4,6,8,10,12,14,16
AlkaPlorer ID: AK155057
Synonym: None
IUPAC Name: (2E,4E,6E,8E,10E,12E,14E,16E)-N-[(3S,6R,9S,10R,13S,16S,19S)-13-(3-amino-3-oxopropyl)-6,10,16-trimethyl-3-(2-methylpropyl)-2,5,8,12,15,18-hexaoxo-11-oxa-1,4,7,14,17-pentazabicyclo[17.3.0]docosan-9-yl]-N-methyloctadeca-2,4,6,8,10,12,14,16-octaenamide
Structure
SMILES: C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N(C)[C@@H]1C(O)=N[C@H](C)C(O)=N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=N)O)C(=O)O[C@@H]1C
InChI: InChI=1S/C45H63N7O9/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-38(54)51(7)39-33(6)61-45(60)34(26-27-37(46)53)49-40(55)31(4)47-42(57)36-24-23-28-52(36)44(59)35(29-30(2)3)50-41(56)32(5)48-43(39)58/h8-22,25,30-36,39H,23-24,26-29H2,1-7H3,(H2,46,53)(H,47,57)(H,48,58)(H,49,55)(H,50,56)/b9-8+,11-10+,13-12+,15-14+,17-16+,19-18+,21-20+,25-22+/t31-,32+,33+,34-,35-,36-,39-/m0/s1
InChIKey: AVZDSYLYOJKQEK-LNUMTBDJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Myxococcus sp. | Myxococcus | Myxococcaceae | Myxococcales | Myxococcia | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 846.0389999999999
TPSA？: 241.36
MolLogP？: 6.920970000000007
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus ruber | Aspergillus ruber | Activity | None | None | 10.1021/np800319v |
| [Chlorella] fusca | [Chlorella] fusca | Activity | None | None | 10.1021/np800319v |
| Escherichia coli | Escherichia coli | Activity | None | None | 10.1021/np800319v |
| Microbotryum violaceum | Microbotryum violaceum | Activity | None | None | 10.1021/np800319v |
| Mycotypha microspora | Mycotypha microspora | Activity | None | None | 10.1021/np800319v |
| Priestia megaterium | Priestia megaterium | Activity | None | None | 10.1021/np800319v |