P6J
N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide
Find entries where: P6J
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide |
| Identifiers | ~{N}-[3-[(1~{S},5~{S},6~{S})-3-azanyl-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-bis(fluoranyl)phenyl]-5-prop-2-ynoxy-pyrazine-2-carboxamide |
| Formula | C22 H21 F2 N5 O3 S |
| Molecular Weight | 473.496 |
| Type | NON-POLYMER |
| Isomeric SMILES | C[C@]1([C@@H]2C[C@@]2(SC(=N1)N)COC)c3cc(cc(c3F)F)NC(=O)c4cnc(cn4)OCC#C |
| InChI | InChI=1S/C22H21F2N5O3S/c1-4-5-32-17-10-26-15(9-27-17)19(30)28-12-6-13(18(24)14(23)7-12)21(2)16-8-22(16,11-31-3)33-20(25)29-21/h1,6-7,9-10,16H,5,8,11H2,2-3H3,(H2,25,29)(H,28,30)/t16-,21+,22+/m0/s1 |
| InChIKey | IPUJINDWAGRAHN-KNXBSLHKSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 54 |
| Chiral Atom Count | 3 |
| Bond Count | 57 |
| Aromatic Bond Count | 12 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 118866105 |
