(2S)-N-{5-[3-({4-[(2S)-2-amino-5-carbamimidamidopentanamido]butyl}amino)propanamido]pentyl}-2-[2-(2,4-dihydroxyphenyl)acetamido]butanediamide
AlkaPlorer ID: AK257034
Synonym: None
IUPAC Name: (2S)-N-[5-[3-[4-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butylamino]propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide
Structure
SMILES: N=C(O)C[C@H](N=C(O)CC1=CC=C(O)C=C1O)C(O)=NCCCCCN=C(O)CCNCCCCN=C(O)[C@@H](N)CCCNC(=N)N
InChI: InChI=1S/C30H52N10O7/c31-22(7-6-15-39-30(33)34)28(46)37-14-5-4-11-35-16-10-26(44)36-12-2-1-3-13-38-29(47)23(19-25(32)43)40-27(45)17-20-8-9-21(41)18-24(20)42/h8-9,18,22-23,35,41-42H,1-7,10-17,19,31H2,(H2,32,43)(H,36,44)(H,37,46)(H,38,47)(H,40,45)(H4,33,34,39)/t22-,23-/m0/s1
InChIKey: FWMLZLXWSGWYGY-GOTSBHOMSA-N
Reference
Finding of Primitive Polyamine Toxins in the Venom of a Joro Spider, Nephila clavata.
PubChem CID: 184814
LOTUS: LTS0121311
SuperNatural Ⅲ: SN0097381-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 664.8090000000001
TPSA？: 314.85
MolLogP？: 2.281040000000003
Number of H-Donors: 13
Number of H-Acceptors: 10
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Glutamate [NMDA] receptor subunit epsilon 1 | IC50 | 5406.0 | nM | 10.1021/jm301255m |
| Rattus norvegicus | Glutamate receptor ionotropic, AMPA 1 | IC50 | 137.0 | nM | 10.1021/jm301255m |
| Rattus norvegicus | Glutamate receptor ionotropic kainate 1 | IC50 | 164.0 | nM | 10.1021/jm301255m |