3-cyclohexyl-N-(2-oxidanylidene-4-phenylsulfanyl-azetidin-3-yl)-2-(3-phenylpropanoylamino)propanamide

Systemtic Name: 3-cyclohexyl-N-(2-oxidanylidene-4-phenylsulfanyl-azetidin-3-yl)-2-(3-phenylpropanoylamino)propanamide Openeye Name: 3-cyclohexyl-N-(2-oxo-4-phenylsulfanyl-azetidin-3-yl)-2-(3-phenylpropanoylamino)propanamide CAS Name: 3-cyclohexyl-2-[(1-oxo-3-phenylpropyl)amino]-N-[2-oxo-4-(phenylthio)-3-azetidinyl]propanamide IUPAC Name: 3-cyclohexyl-N-(2-oxo-4-phenylsulfanylazetidin-3-yl)-2-(3-phenylpropanoylamino)propanamide Traditional Name: 3-cyclohexyl-2-(hydrocinnamoylamino)-N-[2-keto-4-(phenylthio)azetidin-3-yl]propionamide Formula: C27H33N3O3S MolecularWeight: 479.63422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2C(NC2=O)SC3=CC=CC=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NC2C(NC2=O)SC3=CC=CC=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O3S/c31-23(17-16-19-10-4-1-5-11-19)28-22(18-20-12-6-2-7-13-20)25(32)29-24-26(33)30-27(24)34-21-14-8-3-9-15-21/h1,3-5,8-11,14-15,20,22,24,27H,2,6-7,12-13,16-18H2,(H,28,31)(H,29,32)(H,30,33)