Diazonamide B; Debromo, N2-(2S-hydroxy-3-methylbutanoyl)
AlkaPlorer ID: AK295404
Synonym: Diazonamide A
IUPAC Name: N-(3,35-dichloro-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl)-2-hydroxy-3-methylbutanamide
Structure
SMILES: CC(C)C(O)C(O)=NC1CC2=CC=C3OC4NC5=C6C=CC=C5C4(C3=C2)C2=C(N=C(O2)C(C(C)C)N=C1O)C1=NC(Cl)=C(O1)C1=C(Cl)NC2=CC=CC6=C12
InChI: InChI=1S/C40H34Cl2N6O6/c1-15(2)27-37-46-29-32(54-37)40-20-9-5-8-19(18-7-6-10-22-25(18)26(33(41)43-22)31-34(42)48-38(29)53-31)28(20)47-39(40)52-24-12-11-17(13-21(24)40)14-23(35(50)45-27)44-36(51)30(49)16(3)4/h5-13,15-16,23,27,30,39,43,47,49H,14H2,1-4H3,(H,44,51)(H,45,50)
InChIKey: YKBUODYYSZSEIY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Diazona | Diazonidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 765.654
TPSA？: 174.51999999999995
MolLogP？: 8.795200000000003
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|