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

Systemtic Name: (2S)-3-cyclohexyl-2-[[3-oxidanyl-5,5,5-triphenyl-2-(3-phenylpropyl)pentanethioyl]amino]-N-phenethyl-propanamide Openeye Name: (2S)-3-cyclohexyl-2-[[3-hydroxy-5,5,5-triphenyl-2-(3-phenylpropyl)pentanethioyl]amino]-N-phenethyl-propanamide CAS Name: (2S)-3-cyclohexyl-2-[[3-hydroxy-5,5,5-triphenyl-2-(3-phenylpropyl)-1-sulfanylidenepentyl]amino]-N-phenethylpropanamide IUPAC Name: (2S)-3-cyclohexyl-2-[[3-hydroxy-5,5,5-triphenyl-2-(3-phenylpropyl)pentanethioyl]amino]-N-phenethylpropanamide Traditional Name: (2S)-3-cyclohexyl-2-[[3-hydroxy-5,5,5-triphenyl-2-(3-phenylpropyl)pentanethioyl]amino]-N-phenethyl-propionamide Formula: C49H56N2O2S MolecularWeight: 737.04614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NCCC2=CC=CC=C2)NC(=S)C(CCCC3=CC=CC=C3)C(CC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)NCCC2=CC=CC=C2)NC(=S)C(CCCC3=CC=CC=C3)C(CC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O

InChI

InChI=1S/C49H56N2O2S/c52-46(37-49(41-27-13-4-14-28-41,42-29-15-5-16-30-42)43-31-17-6-18-32-43)44(33-19-26-38-20-7-1-8-21-38)48(54)51-45(36-40-24-11-3-12-25-40)47(53)50-35-34-39-22-9-2-10-23-39/h1-2,4-10,13-18,20-23,27-32,40,44-46,52H,3,11-12,19,24-26,33-37H2,(H,50,53)(H,51,54)/t44?,45-,46?/m0/s1