(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
AlkaPlorer ID: AK236699
Synonym: None
IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
Structure
SMILES: CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)O
InChI: InChI=1S/C25H36N4O6/c1-15(2)13-18(26)23(32)28-11-3-5-20(28)22(31)27-19(14-16-7-9-17(30)10-8-16)24(33)29-12-4-6-21(29)25(34)35/h7-10,15,18-21,30H,3-6,11-14,26H2,1-2H3,(H,27,31)(H,34,35)/t18-,19-,20-,21-/m0/s1
InChIKey: NRJZAOVJHXKFRI-TUFLPTIASA-N
Reference
An unusual lignan sulfate and aromatic compounds from Frankenia thymifolia Desf.
PubChem CID: 44451976
SuperNatural Ⅲ: SN0253221-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 488.58500000000026
TPSA？: 153.27
MolLogP？: 0.8595000000000017
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HMG-CoA reductase | IC50 | 484720.0 | nM | 10.1016/j.bmc.2010.04.090 |
| Mesocricetus auratus | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | IC50 | 484700.0 | nM | 10.1016/j.bmc.2007.10.064 |