N-[1-[2-(tert-butylcarbamoyl)-2-phenylsulfanyl-piperidin-1-yl]-2-oxidanyl-4-phenyl-butyl]-2-(naphthalen-2-ylcarbonylamino)butanediamide

Systemtic Name: N-[1-[2-(tert-butylcarbamoyl)-2-phenylsulfanyl-piperidin-1-yl]-2-oxidanyl-4-phenyl-butyl]-2-(naphthalen-2-ylcarbonylamino)butanediamide Openeye Name: N-[1-[2-(tert-butylcarbamoyl)-2-phenylsulfanyl-1-piperidyl]-2-hydroxy-4-phenyl-butyl]-2-(naphthalene-2-carbonylamino)butanediamide CAS Name: N-[1-[2-[(tert-butylamino)-oxomethyl]-2-(phenylthio)-1-piperidinyl]-2-hydroxy-4-phenylbutyl]-2-[[2-naphthalenyl(oxo)methyl]amino]butanediamide IUPAC Name: N-[1-[2-(tert-butylcarbamoyl)-2-phenylsulfanylpiperidin-1-yl]-2-hydroxy-4-phenylbutyl]-2-(naphthalene-2-carbonylamino)butanediamide Traditional Name: N-[1-[2-(tert-butylcarbamoyl)-2-(phenylthio)piperidino]-2-hydroxy-4-phenyl-butyl]-2-(2-naphthoylamino)succinamide Formula: C41H49N5O5S MolecularWeight: 723.92326

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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)C(CC(=O)N)NC(=O)C3=CC4=CC=CC=C4C=C3)SC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)NC(=O)C1(CCCCN1C(C(CCC2=CC=CC=C2)O)NC(=O)C(CC(=O)N)NC(=O)C3=CC4=CC=CC=C4C=C3)SC5=CC=CC=C5

InChI

InChI=1S/C41H49N5O5S/c1-40(2,3)45-39(51)41(52-32-18-8-5-9-19-32)24-12-13-25-46(41)36(34(47)23-20-28-14-6-4-7-15-28)44-38(50)33(27-35(42)48)43-37(49)31-22-21-29-16-10-11-17-30(29)26-31/h4-11,14-19,21-22,26,33-34,36,47H,12-13,20,23-25,27H2,1-3H3,(H2,42,48)(H,43,49)(H,44,50)(H,45,51)