80K
tert-butyl (2-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate
Find entries where: 80K
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | tert-butyl (2-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate |
| Identifiers | ~{tert}-butyl ~{N}-[2-[(2~{S})-3-oxidanylidene-2-phenylazanyl-3-(pyridin-3-ylmethylamino)propyl]sulfanylethyl]carbamate |
| Formula | C22 H30 N4 O3 S |
| Molecular Weight | 430.564 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(C)(C)OC(=O)NCCSC[C@H](C(=O)NCc1cccnc1)Nc2ccccc2 |
| InChI | InChI=1S/C22H30N4O3S/c1-22(2,3)29-21(28)24-12-13-30-16-19(26-18-9-5-4-6-10-18)20(27)25-15-17-8-7-11-23-14-17/h4-11,14,19,26H,12-13,15-16H2,1-3H3,(H,24,28)(H,25,27)/t19-/m1/s1 |
| InChIKey | IEAGHLBQWKIVGS-LJQANCHMSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 60 |
| Chiral Atom Count | 1 |
| Bond Count | 61 |
| Aromatic Bond Count | 12 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 131842076 |
