4D7
3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine
Find entries where: 4D7
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine |
| Synonyms | (R)-3-(1H-Benzoimidazol-2-yl)-2-[(2-methyl-furan-3-carbonyl)-amino]-propionic acid |
| Identifiers | (2R)-3-(1H-benzimidazol-2-yl)-2-[(2-methylfuran-3-yl)carbonylamino]propanoic acid |
| Formula | C16 H15 N3 O4 |
| Molecular Weight | 313.308 |
| Type | NON-POLYMER |
| Isomeric SMILES | Cc1c(cco1)C(=O)N[C@H](Cc2[nH]c3ccccc3n2)C(=O)O |
| InChI | InChI=1S/C16H15N3O4/c1-9-10(6-7-23-9)15(20)19-13(16(21)22)8-14-17-11-4-2-3-5-12(11)18-14/h2-7,13H,8H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t13-/m1/s1 |
| InChIKey | IBXZTXVMQARJHH-CYBMUJFWSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 38 |
| Chiral Atom Count | 1 |
| Bond Count | 40 |
| Aromatic Bond Count | 15 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 44517644 |
| ChEMBL | CHEMBL595028 |
