230295-94-0
AlkaPlorer ID: AK016629
Synonym: '', '7-Hydroxyceratinamine'
IUPAC Name: N-[3-[4-[(1S)-2-amino-1-hydroxyethyl]-2,6-dibromophenoxy]propyl]-1-cyanoformamide
Structure
SMILES: N#CC(=O)NCCCOC1=C(Br)C=C([C@H](O)CN)C=C1Br
InChI: InChI=1S/C13H15Br2N3O3/c14-9-4-8(11(19)6-16)5-10(15)13(9)21-3-1-2-18-12(20)7-17/h4-5,11,19H,1-3,6,16H2,(H,18,20)/t11-/m1/s1
InChIKey: BKBCHPBOYFBMRI-LLVKDONJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Aplysinellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 421.0890000000001
TPSA？: 108.37
MolLogP？: 1.6123799999999997
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|