QIN
N-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]-2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)-6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE
Find entries where: QIN
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | N-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]-2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)-6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE |
| Identifiers | N-[(2S,3S)-3-amino-1-thiophen-3-yl-heptan-2-yl]-2-[[(1S,2S)-2-methylcyclopropyl]methylamino]-6-(methyl-methylsulfonyl-amino)pyridine-4-carboxamide |
| Formula | C24 H37 N5 O3 S2 |
| Molecular Weight | 507.712 |
| Type | NON-POLYMER |
| Isomeric SMILES | CCCC[C@@H]([C@H](Cc1ccsc1)NC(=O)c2cc(nc(c2)N(C)S(=O)(=O)C)NC[C@H]3C[C@@H]3C)N |
| InChI | InChI=1S/C24H37N5O3S2/c1-5-6-7-20(25)21(11-17-8-9-33-15-17)27-24(30)18-12-22(26-14-19-10-16(19)2)28-23(13-18)29(3)34(4,31)32/h8-9,12-13,15-16,19-21H,5-7,10-11,14,25H2,1-4H3,(H,26,28)(H,27,30)/t16-,19+,20-,21-/m0/s1 |
| InChIKey | MSSOOXCWRUWADA-CZGNIMDHSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 71 |
| Chiral Atom Count | 4 |
| Bond Count | 73 |
| Aromatic Bond Count | 11 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 16741220 |
