NXR
N-[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]pyridine-3-carboxamide
Find entries where: NXR
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | N-[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]pyridine-3-carboxamide |
| Identifiers | ~{N}-[(2~{S})-1-[(2~{R})-1-oxidanylidene-3-phenyl-1-(3-pyridin-3-ylpropylamino)propan-2-yl]sulfanyl-3-phenyl-propan-2-yl]pyridine-3-carboxamide |
| Formula | C32 H34 N4 O2 S |
| Molecular Weight | 538.703 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1ccc(cc1)C[C@@H](CS[C@H](Cc2ccccc2)C(=O)NCCCc3cccnc3)NC(=O)c4cccnc4 |
| InChI | InChI=1S/C32H34N4O2S/c37-31(28-16-9-18-34-23-28)36-29(20-25-10-3-1-4-11-25)24-39-30(21-26-12-5-2-6-13-26)32(38)35-19-8-15-27-14-7-17-33-22-27/h1-7,9-14,16-18,22-23,29-30H,8,15,19-21,24H2,(H,35,38)(H,36,37)/t29-,30+/m0/s1 |
| InChIKey | CGXUDBVKADUBKA-XZWHSSHBSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 73 |
| Chiral Atom Count | 2 |
| Bond Count | 76 |
| Aromatic Bond Count | 24 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 164575513 |
