N-tert-butyl-1-[1-[[3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-2-phenylsulfanyl-piperidine-2-carboxamide

Systemtic Name: N-tert-butyl-1-[1-[[3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-2-phenylsulfanyl-piperidine-2-carboxamide Openeye Name: N-tert-butyl-1-[2-hydroxy-1-[[3-methyl-2-(naphthalene-2-carbonylamino)butanoyl]amino]-4-phenyl-butyl]-2-phenylsulfanyl-piperidine-2-carboxamide CAS Name: N-tert-butyl-1-[2-hydroxy-1-[[3-methyl-2-[[2-naphthalenyl(oxo)methyl]amino]-1-oxobutyl]amino]-4-phenylbutyl]-2-(phenylthio)-2-piperidinecarboxamide IUPAC Name: N-tert-butyl-1-[2-hydroxy-1-[[3-methyl-2-(naphthalene-2-carbonylamino)butanoyl]amino]-4-phenylbutyl]-2-phenylsulfanylpiperidine-2-carboxamide Traditional Name: N-tert-butyl-1-[2-hydroxy-1-[[3-methyl-2-(2-naphthoylamino)butanoyl]amino]-4-phenyl-butyl]-2-(phenylthio)pipecolinamide Formula: C42H52N4O4S MolecularWeight: 708.95168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(CCC1=CC=CC=C1)O)N2CCCCC2(C(=O)NC(C)(C)C)SC3=CC=CC=C3)NC(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)C(C(=O)NC(C(CCC1=CC=CC=C1)O)N2CCCCC2(C(=O)NC(C)(C)C)SC3=CC=CC=C3)NC(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C42H52N4O4S/c1-29(2)36(43-38(48)33-24-23-31-18-12-13-19-32(31)28-33)39(49)44-37(35(47)25-22-30-16-8-6-9-17-30)46-27-15-14-26-42(46,40(50)45-41(3,4)5)51-34-20-10-7-11-21-34/h6-13,16-21,23-24,28-29,35-37,47H,14-15,22,25-27H2,1-5H3,(H,43,48)(H,44,49)(H,45,50)