4RY
N-[(4aS,6S,8aR)-2-amino-5,6,7,8-tetrahydro-4a,8a-(methanooxymethano)-3,1-benzothiazin-6(4H)-yl]-3-chlorobenzamide
Find entries where: 4RY
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | N-[(4aS,6S,8aR)-2-amino-5,6,7,8-tetrahydro-4a,8a-(methanooxymethano)-3,1-benzothiazin-6(4H)-yl]-3-chlorobenzamide |
| Identifiers | n/a |
| Formula | C17 H20 Cl N3 O2 S |
| Molecular Weight | 365.878 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@]34COC[C@@]3(C2)CSC(=N4)N |
| InChI | InChI=1S/C17H20ClN3O2S/c18-12-3-1-2-11(6-12)14(22)20-13-4-5-17-9-23-8-16(17,7-13)10-24-15(19)21-17/h1-3,6,13H,4-5,7-10H2,(H2,19,21)(H,20,22)/t13-,16-,17-/m0/s1 |
| InChIKey | XDMHBNONUZHFDP-JQFCIGGWSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 44 |
| Chiral Atom Count | 3 |
| Bond Count | 47 |
| Aromatic Bond Count | 6 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 91799650 |
