Pterulamide I
AlkaPlorer ID: AK061793
Synonym: None
IUPAC Name: (2S,3S)-N,3-dimethyl-2-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[methyl-[(2S)-2-[methyl-[(E)-3-methylsulfinylprop-2-enoyl]amino]propanoyl]amino]pentanoyl]amino]butanoyl]amino]butanoyl]amino]pentanamide
Structure
SMILES: CC[C@H](C)[C@@H](C(=O)NC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](C)N(C)C(=O)/C=C/S(C)=O)C(C)C
InChI: InChI=1S/C34H62N6O7S/c1-16-22(7)28(30(42)35-10)39(13)33(45)26(20(3)4)36-31(43)27(21(5)6)38(12)34(46)29(23(8)17-2)40(14)32(44)24(9)37(11)25(41)18-19-48(15)47/h18-24,26-29H,16-17H2,1-15H3,(H,35,42)(H,36,43)/b19-18+/t22-,23-,24-,26-,27-,28-,29-,48?/m0/s1
InChIKey: VJHQQCCKXFLKLU-QZFMFPMKSA-N
Reference
Pterulamides I−VI, Linear Peptides from a Malaysian <i>Pterula</i> sp.
PubChem CID: 16091506
LOTUS: LTS0114397
NPASS: NPC473495
{NPAtlas: NPA013045
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pterula sp. | Pterula | Pterulaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 698.9720000000002
TPSA？: 156.51
MolLogP？: 1.841500000000008
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | P388 | IC50 | 790.0 | nM | 10.1021/np0600245 |