2-{[(3R,4R,5R)-3-{[(2,4-difluorophenyl)carbamoyl]amino}-4,5-dihydroxycyclohex-1-en-1-yl]formamido}acetamide
AlkaPlorer ID: AK434932
Synonym: None
IUPAC Name: (3R,4R,5R)-N-(2-amino-2-oxoethyl)-3-[(2,4-difluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide
Structure
SMILES: NC(=O)CNC(=O)C1=C[C@@H](NC(=O)NC2=CC=C(F)C=C2F)[C@@H](O)[C@H](O)C1
InChI: InChI=1S/C16H18F2N4O5/c17-8-1-2-10(9(18)5-8)21-16(27)22-11-3-7(4-12(23)14(11)25)15(26)20-6-13(19)24/h1-3,5,11-12,14,23,25H,4,6H2,(H2,19,24)(H,20,26)(H2,21,22,27)/t11-,12-,14-/m1/s1
InChIKey: KMYJGFDDSKRHDE-YRGRVCCFSA-N
Reference
Extracellular Signal-Regulated Kinases (ERK) Inhibitors from <i>Aristolochia yunnanensis</i>
PubChem CID: 11865666
SuperNatural Ⅲ: SN0189939-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 384.3390000000001
TPSA？: 153.77999999999997
MolLogP？: -0.8917000000000004
Number of H-Donors: 6
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|