Medusamide A
AlkaPlorer ID: AK000572
Synonym: None
IUPAC Name: (3S,6R,9R,10R,13R,14R,17R,18R,21R,22R,25R)-9,13,17,21-tetramethyl-25-(2-methylpropyl)-3,6-di(propan-2-yl)-10,14,18,22-tetrapropyl-1,4-dioxa-7,11,15,19,23-pentazacyclopentacosane-2,5,8,12,16,20,24-heptone
Structure
SMILES: CCC[C@H]1N=C(O)[C@@H](CC(C)C)OC(=O)[C@H](C(C)C)OC(=O)[C@@H](C(C)C)N=C(O)[C@H](C)[C@@H](CCC)N=C(O)[C@H](C)[C@@H](CCC)N=C(O)[C@H](C)[C@@H](CCC)N=C(O)[C@@H]1C
InChI: InChI=1S/C44H79N5O9/c1-15-19-31-28(12)39(51)47-33(21-17-3)30(14)41(53)49-36(25(7)8)43(55)58-37(26(9)10)44(56)57-35(23-24(5)6)42(54)48-34(22-18-4)29(13)40(52)46-32(20-16-2)27(11)38(50)45-31/h24-37H,15-23H2,1-14H3,(H,45,50)(H,46,52)(H,47,51)(H,48,54)(H,49,53)/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37+/m1/s1
InChIKey: ZGUPGLAEKHCUSL-WLHCDTGTSA-N
Reference
Medusamide A, a Panamanian Cyanobacterial Depsipeptide with Multiple β-Amino Acids
PubChem CID: 132559088
LOTUS: LTS0254667
{NPAtlas: NPA023792
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cyanobacterium | Geminocystaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 822.1419999999999
TPSA？: 215.54999999999995
MolLogP？: 9.552
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|