Fellutamide B
AlkaPlorer ID: AK031649
Synonym: None
IUPAC Name: (2S)-2-[[(2S)-4-amino-2-[[(3R)-3-hydroxydodecanoyl]amino]-4-oxobutanoyl]amino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanediamide
Structure
SMILES: CCCCCCCCC[C@@H](O)CC(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@H](C=O)CC(C)C
InChI: InChI=1S/C27H49N5O7/c1-4-5-6-7-8-9-10-11-20(34)15-25(37)31-22(16-24(29)36)27(39)32-21(12-13-23(28)35)26(38)30-19(17-33)14-18(2)3/h17-22,34H,4-16H2,1-3H3,(H2,28,35)(H2,29,36)(H,30,38)(H,31,37)(H,32,39)/t19-,20+,21-,22-/m0/s1
InChIKey: MFXAGCQVWGPEJH-LRSLUSHPSA-N
Reference
Fellutamides A and B, cytotoxic peptides from a marine fish-possessing fungus Penicillium fellutanum
PubChem CID: 9829143
LOTUS: LTS0008889
{NPAtlas: NPA014580
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium fellutanum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 555.7170000000001
TPSA？: 223.23
MolLogP？: 5.339240000000003
Number of H-Donors: 8
Number of H-Acceptors: 7
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 349.0 | nM | 10.1016/j.bmcl.2006.04.029 |
| Mus musculus | LM | Activity | nan | None | 10.1016/j.bmcl.2006.04.029 |
| Mus musculus | LM | IC50 | 482.0 | nM | 10.1016/j.bmcl.2006.04.029 |
| Rattus norvegicus | PC-12 | IC50 | 437.0 | nM | 10.1016/j.bmcl.2006.04.029 |