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

Systemtic Name: (2S,4R)-1-[(2R,3S)-3-azanyl-2-oxidanyl-4-phenyl-butyl]-N-tert-butyl-4-(pyridin-4-ylmethylsulfanyl)piperidine-2-carboxamide Openeye Name: (2S,4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-4-(4-pyridylmethylsulfanyl)piperidine-2-carboxamide CAS Name: (2S,4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-tert-butyl-4-(pyridin-4-ylmethylthio)-2-piperidinecarboxamide IUPAC Name: (2S,4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-tert-butyl-4-(pyridin-4-ylmethylsulfanyl)piperidine-2-carboxamide Traditional Name: (2S,4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-4-(4-pyridylmethylthio)pipecolinamide Formula: C26H38N4O2S MolecularWeight: 470.67052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC(CCN1CC(C(CC2=CC=CC=C2)N)O)SCC3=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)SCC3=CC=NC=C3

InChI

InChI=1S/C26H38N4O2S/c1-26(2,3)29-25(32)23-16-21(33-18-20-9-12-28-13-10-20)11-14-30(23)17-24(31)22(27)15-19-7-5-4-6-8-19/h4-10,12-13,21-24,31H,11,14-18,27H2,1-3H3,(H,29,32)/t21-,22+,23+,24-/m1/s1