67528-34-1
AlkaPlorer ID: AK014375
Synonym: 'Dysidenin', '(-)-Dysidenin'
IUPAC Name: (2R,4S)-5,5,5-trichloro-4-methyl-2-[methyl-[(3R)-4,4,4-trichloro-3-methylbutanoyl]amino]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pentanamide
Structure
SMILES: C[C@H](N=C(O)[C@@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C(=O)C[C@@H](C)C(Cl)(Cl)Cl)C1=NC=CS1
InChI: InChI=1S/C17H23Cl6N3O2S/c1-9(16(18,19)20)7-12(14(28)25-11(3)15-24-5-6-29-15)26(4)13(27)8-10(2)17(21,22)23/h5-6,9-12H,7-8H2,1-4H3,(H,25,28)/t9-,10+,11-,12+/m0/s1
InChIKey: BFVRAKVNXYQMID-WHOHXGKFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lamellodysidea herbacea | Lamellodysidea | Dysideidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 546.1750000000002
TPSA？: 65.79
MolLogP？: 6.780400000000005
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|