Kahalalide E
AlkaPlorer ID: AK468748
Synonym: None
IUPAC Name: (3R,6R,9R,13S,16S,19R,22S)-16-(1H-indol-3-ylmethyl)-6,9-dimethyl-13-(6-methylheptyl)-3,19-bis(2-methylpropyl)-14-oxa-1,4,7,10,17,20-hexazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone
Structure
SMILES: CC(C)CCCCC[C@H]1CC(O)=N[C@H](C)C(O)=N[C@H](C)C(O)=N[C@H](CC(C)C)C(=O)N2CCC[C@H]2C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)O1
InChI: InChI=1S/C45H69N7O8/c1-26(2)15-10-9-11-16-32-24-39(53)47-29(7)40(54)48-30(8)41(55)50-36(22-28(5)6)44(58)52-20-14-19-38(52)43(57)49-35(21-27(3)4)42(56)51-37(45(59)60-32)23-31-25-46-34-18-13-12-17-33(31)34/h12-13,17-18,25-30,32,35-38,46H,9-11,14-16,19-24H2,1-8H3,(H,47,53)(H,48,54)(H,49,57)(H,50,55)(H,51,56)/t29-,30-,32+,35-,36-,37+,38+/m1/s1
InChIKey: NNBDGOASYKFATB-HTKSYFRWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Elysia rufescens | Elysia | Plakobranchidae | None | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 836.0880000000001
TPSA？: 225.35
MolLogP？: 8.380900000000004
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|