Argadin
AlkaPlorer ID: AK016359
Synonym: None
IUPAC Name: 4-[(1S,4R,10S,13S,16S)-10-[3-[[acetamido(amino)methylidene]amino]propyl]-18-hydroxy-16-(1H-imidazol-5-ylmethyl)-3,9,12,15,20-pentaoxo-2,8,11,14,17-pentazatricyclo[15.2.1.04,8]icosan-13-yl]butanoic acid
Structure
SMILES: CC(O)=NC(=N)NCCC[C@@H]1N=C(O)[C@H](CCCC(=O)O)N=C(O)[C@H](CC2=CN=CN2)N2C(=O)[C@H](CC2O)N=C(O)[C@H]2CCCN2C1=O
InChI: InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22?/m0/s1
InChIKey: FOZYKTUSOWWQGR-ZFXWIAORSA-N
Reference
Argadin, a New Chitinase Inhibitor, Produced by Clonostachys sp. FO-7314.
PubChem CID: 44512454
LOTUS: LTS0089823
{NPAtlas: NPA010348
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clonostachys sp. | Clonostachys | Bionectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 674.716
TPSA？: 293.07
MolLogP？: 0.3872700000000048
Number of H-Donors: 9
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|