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

Systemtic Name: (2S)-1-[(2R,3S)-3-azanyl-2-oxidanyl-4-phenyl-butyl]-N-tert-butyl-2-phenylsulfanyl-piperidine-2-carboxamide Openeye Name: (2S)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-2-phenylsulfanyl-piperidine-2-carboxamide CAS Name: (2S)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-tert-butyl-2-(phenylthio)-2-piperidinecarboxamide IUPAC Name: (2S)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-tert-butyl-2-phenylsulfanylpiperidine-2-carboxamide Traditional Name: (2S)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-2-(phenylthio)pipecolinamide Formula: C26H37N3O2S MolecularWeight: 455.65588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1(CCCCN1CC(C(CC2=CC=CC=C2)N)O)SC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)[C@]1(CCCCN1C[C@H]([C@H](CC2=CC=CC=C2)N)O)SC3=CC=CC=C3

InChI

InChI=1S/C26H37N3O2S/c1-25(2,3)28-24(31)26(32-21-14-8-5-9-15-21)16-10-11-17-29(26)19-23(30)22(27)18-20-12-6-4-7-13-20/h4-9,12-15,22-23,30H,10-11,16-19,27H2,1-3H3,(H,28,31)/t22-,23+,26-/m0/s1