N-tert-butyl-1-[2-oxidanyl-1-(2-phenoxyethanoylamino)-4-phenyl-butyl]-2-pyridin-4-ylsulfanyl-piperidine-2-carboxamide

Systemtic Name: N-tert-butyl-1-[2-oxidanyl-1-(2-phenoxyethanoylamino)-4-phenyl-butyl]-2-pyridin-4-ylsulfanyl-piperidine-2-carboxamide Openeye Name: N-tert-butyl-1-[2-hydroxy-1-[(2-phenoxyacetyl)amino]-4-phenyl-butyl]-2-(4-pyridylsulfanyl)piperidine-2-carboxamide CAS Name: N-tert-butyl-1-[2-hydroxy-1-[(1-oxo-2-phenoxyethyl)amino]-4-phenylbutyl]-2-(pyridin-4-ylthio)-2-piperidinecarboxamide IUPAC Name: N-tert-butyl-1-[2-hydroxy-1-[(2-phenoxyacetyl)amino]-4-phenylbutyl]-2-pyridin-4-ylsulfanylpiperidine-2-carboxamide Traditional Name: N-tert-butyl-1-[2-hydroxy-1-[(2-phenoxyacetyl)amino]-4-phenyl-butyl]-2-(4-pyridylthio)pipecolinamide Formula: C33H42N4O4S MolecularWeight: 590.77598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1(CCCCN1C(C(CCC2=CC=CC=C2)O)NC(=O)COC3=CC=CC=C3)SC4=CC=NC=C4

Isomeric SMILES

CC(C)(C)NC(=O)C1(CCCCN1C(C(CCC2=CC=CC=C2)O)NC(=O)COC3=CC=CC=C3)SC4=CC=NC=C4

InChI

InChI=1S/C33H42N4O4S/c1-32(2,3)36-31(40)33(42-27-18-21-34-22-19-27)20-10-11-23-37(33)30(28(38)17-16-25-12-6-4-7-13-25)35-29(39)24-41-26-14-8-5-9-15-26/h4-9,12-15,18-19,21-22,28,30,38H,10-11,16-17,20,23-24H2,1-3H3,(H,35,39)(H,36,40)