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| Ligand Name: 1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB992 |
PubChem:
16755651
|
Synonym(s):
- (2s)-2-cyano-1-(4-phenyl-l-phenylalanyl)pyrrolidine
- chebi:43666
- (2s)-1-[(2s)-2-amino-3-(4-phenylphenyl)propanoyl]pyrrolidine-2-carbonitrile
- (2s)-1-[(2s)-2-amino-3-[1,1'-biphenyl-4-yl]propanoyl]pyrrolidine-2-carbonitrile
- chembl200347
- bdbm11118
- zinc14947610
- q27120525
- 4-substituted phenylalanine cyano-(s)-pyrrolidine deriv. 5
show 8 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL200347 |
| Canonical SMILES: N#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc2ccc(cc2)-c3ccccc3 |
| Standard InChI: InChI=1S/C20H21N3O/c21-14-18-7-4-12-23(18)20(24)19(22)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18-19H,4,7,12-13,22H2/t18-,19-/m0/s1 |
| Molecular Formula: C20H21N3O |
Mol. Weight: 319.16846 |
logP: 2.73798 |
| HBD: 1 | HBA: 3 |
| #Rotatable Bonds: 4 | TPSA: 70.12 |