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

Systemtic Name: (4R)-1-[(2R,3S)-3-azanyl-2-oxidanyl-4-phenyl-butyl]-N-tert-butyl-4-(pyridin-3-ylmethylsulfanyl)piperidine-2-carboxamide Openeye Name: (4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-4-(3-pyridylmethylsulfanyl)piperidine-2-carboxamide CAS Name: (4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-tert-butyl-4-(3-pyridinylmethylthio)-2-piperidinecarboxamide IUPAC Name: (4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-tert-butyl-4-(pyridin-3-ylmethylsulfanyl)piperidine-2-carboxamide Traditional Name: (4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-4-(3-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=CN=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C1C[C@@H](CCN1C[C@H]([C@H](CC2=CC=CC=C2)N)O)SCC3=CN=CC=C3

InChI

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