(S)-2-(2-Bromo-benzoylamino)-3-(1H-indol-3-yl)-propionic acid methyl ester
AlkaPlorer ID: AK370669
Synonym: None
IUPAC Name: methyl (2S)-2-[(2-bromobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
Structure
SMILES: COC(=O)[C@H](CC1=CNC2=CC=CC=C12)N=C(O)C1=CC=CC=C1Br
InChI: InChI=1S/C19H17BrN2O3/c1-25-19(24)17(22-18(23)14-7-2-4-8-15(14)20)10-12-11-21-16-9-5-3-6-13(12)16/h2-9,11,17,21H,10H2,1H3,(H,22,23)/t17-/m0/s1
InChIKey: DTWLLLDRLDKDFY-KRWDZBQOSA-N
Reference
Tyromycic Acids B−E, New Lanostane Triterpenoids from the Mushroom <i>Tyromyces fissilis</i>
PubChem CID: 1112296
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 401.2600000000001
TPSA？: 74.68
MolLogP？: 4.019300000000003
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 | IC50 | 1000000.0 | nM | 10.1016/s0960-894x(03)00084-2 |