(2S,4R)-1-[(2R,3S)-3-azanyl-2-oxidanyl-4-phenyl-butyl]-N-tert-butyl-4-pyridin-4-ylsulfanyl-piperidine-2-carboxamide

Systemtic Name: (2S,4R)-1-[(2R,3S)-3-azanyl-2-oxidanyl-4-phenyl-butyl]-N-tert-butyl-4-pyridin-4-ylsulfanyl-piperidine-2-carboxamide Openeye Name: (2S,4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-4-(4-pyridylsulfanyl)piperidine-2-carboxamide CAS Name: (2S,4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-tert-butyl-4-(pyridin-4-ylthio)-2-piperidinecarboxamide IUPAC Name: (2S,4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-tert-butyl-4-pyridin-4-ylsulfanylpiperidine-2-carboxamide Traditional Name: (2S,4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-4-(4-pyridylthio)pipecolinamide Formula: C25H36N4O2S MolecularWeight: 456.64394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC(CCN1CC(C(CC2=CC=CC=C2)N)O)SC3=CC=NC=C3

Isomeric SMILES

CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@H]([C@H](CC2=CC=CC=C2)N)O)SC3=CC=NC=C3

InChI

InChI=1S/C25H36N4O2S/c1-25(2,3)28-24(31)22-16-20(32-19-9-12-27-13-10-19)11-14-29(22)17-23(30)21(26)15-18-7-5-4-6-8-18/h4-10,12-13,20-23,30H,11,14-17,26H2,1-3H3,(H,28,31)/t20-,21+,22+,23-/m1/s1