4YY
N-[(1-fluorocyclopropyl)carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide
Find entries where: 4YY
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | N-[(1-fluorocyclopropyl)carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide |
| Identifiers | (2S,4R)-1-[(2S)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
| Formula | C26 H33 F N4 O4 S |
| Molecular Weight | 516.628 |
| Type | NON-POLYMER |
| Isomeric SMILES | Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O |
| InChI | InChI=1S/C26H33FN4O4S/c1-15-20(36-14-29-15)17-7-5-16(6-8-17)12-28-22(33)19-11-18(32)13-31(19)23(34)21(25(2,3)4)30-24(35)26(27)9-10-26/h5-8,14,18-19,21,32H,9-13H2,1-4H3,(H,28,33)(H,30,35)/t18-,19+,21-/m1/s1 |
| InChIKey | GFNCBUDQFXZVNN-SVFBPWRDSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 69 |
| Chiral Atom Count | 3 |
| Bond Count | 72 |
| Aromatic Bond Count | 11 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 129900323 |
| ChEMBL | CHEMBL4225470 |
