(2S)-3-cyclohexyl-2-[[2-(2-methylpropyl)-3-oxidanyl-5,5,5-triphenyl-pentanethioyl]amino]-N-phenethyl-propanamide

Systemtic Name: (2S)-3-cyclohexyl-2-[[2-(2-methylpropyl)-3-oxidanyl-5,5,5-triphenyl-pentanethioyl]amino]-N-phenethyl-propanamide Openeye Name: (2S)-3-cyclohexyl-2-[(3-hydroxy-2-isobutyl-5,5,5-triphenyl-pentanethioyl)amino]-N-phenethyl-propanamide CAS Name: (2S)-3-cyclohexyl-2-[[3-hydroxy-2-(2-methylpropyl)-5,5,5-triphenyl-1-sulfanylidenepentyl]amino]-N-phenethylpropanamide IUPAC Name: (2S)-3-cyclohexyl-2-[[3-hydroxy-2-(2-methylpropyl)-5,5,5-triphenylpentanethioyl]amino]-N-phenethylpropanamide Traditional Name: (2S)-3-cyclohexyl-2-[(3-hydroxy-2-isobutyl-5,5,5-triphenyl-pentanethioyl)amino]-N-phenethyl-propionamide Formula: C44H54N2O2S MolecularWeight: 674.97676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O)C(=S)NC(CC4CCCCC4)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

CC(C)CC(C(CC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O)C(=S)N[C@@H](CC4CCCCC4)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C44H54N2O2S/c1-33(2)30-39(43(49)46-40(31-35-20-10-4-11-21-35)42(48)45-29-28-34-18-8-3-9-19-34)41(47)32-44(36-22-12-5-13-23-36,37-24-14-6-15-25-37)38-26-16-7-17-27-38/h3,5-9,12-19,22-27,33,35,39-41,47H,4,10-11,20-21,28-32H2,1-2H3,(H,45,48)(H,46,49)/t39?,40-,41?/m0/s1