N-tert-butyl-1-[1-[2-(2,6-dimethylphenoxy)ethanoylamino]-2-oxidanyl-4-phenyl-butyl]-2-pyridin-4-ylsulfanyl-piperidine-2-carboxamide

Systemtic Name: N-tert-butyl-1-[1-[2-(2,6-dimethylphenoxy)ethanoylamino]-2-oxidanyl-4-phenyl-butyl]-2-pyridin-4-ylsulfanyl-piperidine-2-carboxamide Openeye Name: N-tert-butyl-1-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenyl-butyl]-2-(4-pyridylsulfanyl)piperidine-2-carboxamide CAS Name: N-tert-butyl-1-[1-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]-2-hydroxy-4-phenylbutyl]-2-(pyridin-4-ylthio)-2-piperidinecarboxamide IUPAC Name: N-tert-butyl-1-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-2-pyridin-4-ylsulfanylpiperidine-2-carboxamide Traditional Name: N-tert-butyl-1-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenyl-butyl]-2-(4-pyridylthio)pipecolinamide Formula: C35H46N4O4S MolecularWeight: 618.82914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(=O)NC(C(CCC2=CC=CC=C2)O)N3CCCCC3(C(=O)NC(C)(C)C)SC4=CC=NC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(=O)NC(C(CCC2=CC=CC=C2)O)N3CCCCC3(C(=O)NC(C)(C)C)SC4=CC=NC=C4

InChI

InChI=1S/C35H46N4O4S/c1-25-12-11-13-26(2)31(25)43-24-30(41)37-32(29(40)17-16-27-14-7-6-8-15-27)39-23-10-9-20-35(39,33(42)38-34(3,4)5)44-28-18-21-36-22-19-28/h6-8,11-15,18-19,21-22,29,32,40H,9-10,16-17,20,23-24H2,1-5H3,(H,37,41)(H,38,42)