Ulithiacyclamide E
AlkaPlorer ID: AK000836
Synonym: None
IUPAC Name: (1S,8R,11S,14S,21R,24S)-8-benzyl-11,24-bis[(1S)-1-hydroxyethyl]-21-(2-methylpropyl)-6,19,28,29-tetrathia-2,9,12,15,22,25,31,32-octazatetracyclo[12.12.4.14,7.117,20]dotriaconta-4,7(32),17,20(31)-tetraene-3,10,13,16,23,26-hexone
Structure
SMILES: CC(C)C[C@H]1N=C(O)[C@H]([C@H](C)O)N=C(O)[C@H]2CSSC[C@@H](N=C(O)C3=CSC1=N3)C(O)=N[C@@H]([C@H](C)O)C(O)=N[C@H](CC1=CC=CC=C1)C1=NC(=CS1)C(O)=N2
InChI: InChI=1S/C35H44N8O8S4/c1-16(2)10-20-34-40-22(12-52-34)28(46)38-25-15-55-54-14-24(30(48)42-26(17(3)44)32(50)36-20)39-29(47)23-13-53-35(41-23)21(11-19-8-6-5-7-9-19)37-33(51)27(18(4)45)43-31(25)49/h5-9,12-13,16-18,20-21,24-27,44-45H,10-11,14-15H2,1-4H3,(H,36,50)(H,37,51)(H,38,46)(H,39,47)(H,42,48)(H,43,49)/t17-,18-,20+,21+,24+,25+,26-,27-/m0/s1
InChIKey: NLVXWJPLNQGFEL-IVNNDBPSSA-N
Reference
New Cyclic Peptides from the Ascidian<i>Lissoclinum</i><i>p</i><i>atella</i>
PubChem CID: 21775219
LOTUS: LTS0219276
NPASS: NPC476103
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lissoclinum patella | Lissoclinum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 833.053
TPSA？: 261.78
MolLogP？: 5.750600000000005
Number of H-Donors: 8
Number of H-Acceptors: 14
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | IC50 | 112.0 | nM | 10.1021/np9802872 |