1BE
N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine
Find entries where: 1BE
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine |
| Identifiers | (2S)-2-[(6-chloranyl-3,3-dimethyl-4H-isoquinolin-1-yl)amino]-3-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]propanoic acid |
| Formula | C24 H27 Cl N4 O2 S |
| Molecular Weight | 471.015 |
| Type | NON-POLYMER |
| Isomeric SMILES | CCCc1c(c(cs1)c2c[nH]nc2)C[C@@H](C(=O)O)NC3=NC(Cc4c3ccc(c4)Cl)(C)C |
| InChI | InChI=1S/C24H27ClN4O2S/c1-4-5-21-18(19(13-32-21)15-11-26-27-12-15)9-20(23(30)31)28-22-17-7-6-16(25)8-14(17)10-24(2,3)29-22/h6-8,11-13,20H,4-5,9-10H2,1-3H3,(H,26,27)(H,28,29)(H,30,31)/t20-/m0/s1 |
| InChIKey | GZLUSHWHRPZJDJ-FQEVSTJZSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 59 |
| Chiral Atom Count | 1 |
| Bond Count | 62 |
| Aromatic Bond Count | 16 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 135566788, 70789287 |
