Erinacerin N
AlkaPlorer ID: AK064003
Synonym: None
IUPAC Name: (3S)-2-[(1R)-1-[5-acetyl-2-(hydroxymethyl)-4-oxopyridin-1-yl]-2-methylbutyl]imino-3-hydroxy-4-methylpentanoic acid
Structure
SMILES: CCC(C)[C@@H](N=C(C(=O)O)[C@@H](O)C(C)C)N1C=C(C(C)=O)C(=O)C=C1CO
InChI: InChI=1S/C19H28N2O6/c1-6-11(4)18(20-16(19(26)27)17(25)10(2)3)21-8-14(12(5)23)15(24)7-13(21)9-22/h7-8,10-11,17-18,22,25H,6,9H2,1-5H3,(H,26,27)/t11?,17-,18-/m0/s1
InChIKey: RWZAFFUQHQDREK-AZOLZQDUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Erinaceus | Erinaceidae | Eulipotyphla | Mammalia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 380.4410000000002
TPSA？: 129.18999999999997
MolLogP？: 1.6304
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|