N-β-Alanyl-5-(S-glutathionyl)-3,4-dihydroxyphenylalanine
AlkaPlorer ID: AK283739
Synonym: 5-S-GAD
IUPAC Name: 2-amino-5-[[3-[5-[2-(3-aminopropanoylamino)-2-carboxyethyl]-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Structure
SMILES: NCCC(=O)NC(CC1=CC(O)=C(O)C(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)=C1)C(=O)O
InChI: InChI=1S/C22H31N5O11S/c23-4-3-17(30)26-12(22(37)38)5-10-6-14(28)19(33)15(7-10)39-9-13(20(34)25-8-18(31)32)27-16(29)2-1-11(24)21(35)36/h6-7,11-13,28,33H,1-5,8-9,23-24H2,(H,25,34)(H,26,30)(H,27,29)(H,31,32)(H,35,36)(H,37,38)
InChIKey: YMBAJJVBBYVETD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sarcophaga peregrina | Sarcophaga | Sarcophagidae | Diptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 573.5810000000004
TPSA？: 291.7
MolLogP？: -2.471699999999992
Number of H-Donors: 10
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|