(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-phenylpropanoic acid
AlkaPlorer ID: AK269960
Synonym: None
IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid
Structure
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(=O)O)OCC1C2=CC=CC=C2C2=CC=CC=C21
InChI: InChI=1S/C24H21NO4/c26-23(27)22(14-16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)/t22-/m0/s1
InChIKey: SJVFAHZPLIXNDH-QFIPXVFZSA-N
Reference
Proteasome Inhibitors from <i>Neoboutonia melleri</i>
PubChem CID: 978331
CAS: 286460-71-7
SuperNatural Ⅲ: SN0347463-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 387.43500000000006
TPSA？: 75.63000000000001
MolLogP？: 4.221000000000003
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli (strain K12) | Chaperone SurA | IC50 | 151600.0 | nM | 10.1016/j.bmcl.2018.09.034 |
| Homo sapiens | Homo sapiens | IC50 | 58000.0 | nM | 10.1021/jm00010a009 |
| Homo sapiens | Sialin | Inhibition | nan | % | 10.1021/acs.jmedchem.9b02119 |
| None | NON-PROTEIN TARGET | IC50 | 14100.0 | nM | 10.1016/j.ejmech.2008.11.008 |
| None | NON-PROTEIN TARGET | IC50 | 14200.0 | nM | 10.1016/j.ejmech.2008.11.008 |
| None | Unchecked | Activity | nan | None | 10.1016/j.bmcl.2018.09.034 |
| None | Unchecked | Relative Kd | 22.0 | None | 10.1016/s0960-894x(01)00790-9 |