1B8
3-[2-bromo-4-(1H-pyrazol-4-yl)thiophen-3-yl]-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine
Find entries where: 1B8
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 3-[2-bromo-4-(1H-pyrazol-4-yl)thiophen-3-yl]-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine |
| Identifiers | (2S)-3-[2-bromanyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]-2-[(6-chloranyl-3,3-dimethyl-4H-isoquinolin-1-yl)amino]propanoic acid |
| Formula | C21 H20 Br Cl N4 O2 S |
| Molecular Weight | 507.831 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3c(csc3Br)c4c[nH]nc4)C(=O)O)Cl)C |
| InChI | InChI=1S/C21H20BrClN4O2S/c1-21(2)7-11-5-13(23)3-4-14(11)19(27-21)26-17(20(28)29)6-15-16(10-30-18(15)22)12-8-24-25-9-12/h3-5,8-10,17H,6-7H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)/t17-/m0/s1 |
| InChIKey | DZVYKFXCGGLAAX-KRWDZBQOSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 50 |
| Chiral Atom Count | 1 |
| Bond Count | 53 |
| Aromatic Bond Count | 16 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 135566783, 70789279 |
