J9K
tert-butyl [(2S)-1-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)-3-phenylpropan-2-yl]carbamate
Find entries where: J9K
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | tert-butyl [(2S)-1-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)-3-phenylpropan-2-yl]carbamate |
| Identifiers | tert-butyl N-[(2S)-1-[3-oxidanylidene-3-(pyridin-3-ylmethylamino)propyl]sulfanyl-3-phenyl-propan-2-yl]carbamate |
| Formula | C23 H31 N3 O3 S |
| Molecular Weight | 429.576 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CSCCC(=O)NCc2cccnc2 |
| InChI | InChI=1S/C23H31N3O3S/c1-23(2,3)29-22(28)26-20(14-18-8-5-4-6-9-18)17-30-13-11-21(27)25-16-19-10-7-12-24-15-19/h4-10,12,15,20H,11,13-14,16-17H2,1-3H3,(H,25,27)(H,26,28)/t20-/m0/s1 |
| InChIKey | MVQZDJDMEHCEJW-FQEVSTJZSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 61 |
| Chiral Atom Count | 1 |
| Bond Count | 62 |
| Aromatic Bond Count | 12 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL3814479 |
| PubChem | 91885509 |
| ChEMBL | CHEMBL3814479 |
