Chemical Component Summary |
|---|
| Name | 3-(4-bromothiophen-3-yl)-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine |
|---|
| Identifiers | (2S)-3-(4-bromanylthiophen-3-yl)-2-[(6-chloranyl-3,3-dimethyl-4H-isoquinolin-1-yl)amino]propanoic acid |
|---|
| Formula | C18 H18 Br Cl N2 O2 S |
|---|
| Molecular Weight | 441.77 |
|---|
| Type | NON-POLYMER |
|---|
| Isomeric SMILES | CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3cscc3Br)C(=O)O)Cl)C |
|---|
| InChI | InChI=1S/C18H18BrClN2O2S/c1-18(2)7-10-5-12(20)3-4-13(10)16(22-18)21-15(17(23)24)6-11-8-25-9-14(11)19/h3-5,8-9,15H,6-7H2,1-2H3,(H,21,22)(H,23,24)/t15-/m0/s1 |
|---|
| InChIKey | LZMNPXMCRBRYAN-HNNXBMFYSA-N |
|---|
