None
AlkaPlorer ID: AK324819
Synonym: None
IUPAC Name: (E,4S)-4-[[(2S)-2-[[(2S)-2-(diaminomethylideneamino)butanoyl]amino]-3-methylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
Structure
SMILES: CC[C@H](NC(=N)N)C(O)=N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)C
InChI: InChI=1S/C19H35N5O4/c1-8-13(22-19(20)21)16(25)23-15(11(4)5)17(26)24(7)14(10(2)3)9-12(6)18(27)28/h9-11,13-15H,8H2,1-7H3,(H,23,25)(H,27,28)(H4,20,21,22)/b12-9+/t13-,14+,15-/m0/s1
InChIKey: JKUXEKUGDNFENI-WQXAFCNFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 397.5200000000002
TPSA？: 152.1
MolLogP？: 1.7430700000000017
Number of H-Donors: 5
Number of H-Acceptors: 4
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | NCI-H460 | IC50 | 40000.0 | nM | 10.1021/acs.jnatprod.7b00019 |
| Rattus norvegicus | Sodium channel protein type IV alpha subunit | Inhibition | nan | % | 10.1021/acs.jnatprod.7b00019 |