Pterulamide Iv
AlkaPlorer ID: AK057181
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-phenylprop-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](N=C(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/C1=CC=CC=C1)C(C)C
InChI: InChI=1S/C39H64N6O6/c1-15-26(7)33(35(47)40-10)44(13)38(50)31(24(3)4)41-36(48)32(25(5)6)43(12)39(51)34(27(8)16-2)45(14)37(49)28(9)42(11)30(46)23-22-29-20-18-17-19-21-29/h17-28,31-34H,15-16H2,1-14H3,(H,40,47)(H,41,48)/b23-22+/t26-,27-,28-,31-,32-,33-,34-/m0/s1
InChIKey: MTNPSCWSPJPMKI-ITPAOENGSA-N
Reference
Pterulamides I−VI, Linear Peptides from a Malaysian <i>Pterula</i> sp.
PubChem CID: 16091509
LOTUS: LTS0027450
SuperNatural Ⅲ: SN0234974-02
NPASS: NPC239357
{NPAtlas: NPA003958
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pterula sp. | Pterula | Pterulaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 712.9770000000002
TPSA？: 146.42000000000002
MolLogP？: 5.343300000000008
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | P388 | IC50 | 1330.0 | nM | 10.1021/np0600245 |