(3R)-3-acetamido-5-ethylsulfanyl-2-oxidanyl-N-(2-phenylbutyl)pentanamide

Systemtic Name: (3R)-3-acetamido-5-ethylsulfanyl-2-oxidanyl-N-(2-phenylbutyl)pentanamide Openeye Name: (3R)-3-acetamido-5-ethylsulfanyl-2-hydroxy-N-(2-phenylbutyl)pentanamide CAS Name: (3R)-3-acetamido-5-(ethylthio)-2-hydroxy-N-(2-phenylbutyl)pentanamide IUPAC Name: (3R)-3-acetamido-5-ethylsulfanyl-2-hydroxy-N-(2-phenylbutyl)pentanamide Traditional Name: (3R)-3-acetamido-5-(ethylthio)-2-hydroxy-N-(2-phenylbutyl)valeramide Formula: C19H30N2O3S MolecularWeight: 366.5181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C(CCSCC)NC(=O)C)O)C1=CC=CC=C1

Isomeric SMILES

CCC(CNC(=O)C([C@@H](CCSCC)NC(=O)C)O)C1=CC=CC=C1

InChI

InChI=1S/C19H30N2O3S/c1-4-15(16-9-7-6-8-10-16)13-20-19(24)18(23)17(21-14(3)22)11-12-25-5-2/h6-10,15,17-18,23H,4-5,11-13H2,1-3H3,(H,20,24)(H,21,22)/t15?,17-,18?/m1/s1