2-[34-(butan-2-yl)-8,22-dihydroxy-13-(3-hydroxybutan-2-yl)-2,5,11,14,27,30,33,36,39-nonaoxo-27??-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.0?,¹?.0¹?,²?.0¹?,²?]nonatriaconta-18(26),19,21,23-tetraen-4-yl]acetamide
AlkaPlorer ID: AK563994
Synonym: None
IUPAC Name: 2-[(1R,4S,8R,10S,13S,16S,27R,34S)-34-[(2S)-butan-2-yl]-8,22-dihydroxy-13-[(2R,3S)-3-hydroxybutan-2-yl]-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)CN=C(O)[C@@H]2CC3=C(NC4=CC(O)=CC=C34)[S@+]([O-])C[C@H](N=C(O)CN=C1O)C(O)=N[C@@H](CC(=N)O)C(=O)N1C[C@H](O)C[C@H]1C(O)=N[C@@H]([C@@H](C)[C@H](C)O)C(O)=N2
InChI: InChI=1S/C39H54N10O13S/c1-5-16(2)31-36(59)42-12-29(54)43-26-15-63(62)38-22(21-7-6-19(51)8-23(21)46-38)10-24(33(56)41-13-30(55)47-31)44-37(60)32(17(3)18(4)50)48-35(58)27-9-20(52)14-49(27)39(61)25(11-28(40)53)45-34(26)57/h6-8,16-18,20,24-27,31-32,46,50-52H,5,9-15H2,1-4H3,(H2,40,53)(H,41,56)(H,42,59)(H,43,54)(H,44,60)(H,45,57)(H,47,55)(H,48,58)/t16-,17-,18-,20+,24-,25-,26-,27-,31-,32-,63+/m0/s1
InChIKey: WVHGJJRMKGDTEC-WCIJHFMNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amanita bisporigera | Amanita | Amanitaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 902.985
TPSA？: 392.06000000000006
MolLogP？: 2.039470000000005
Number of H-Donors: 13
Number of H-Acceptors: 13
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|