hexyl 2-acetamido-3-[2-[4-(2-methylpropyl)phenyl]propanoylsulfanyl]propanoate

Systemtic Name: hexyl 2-acetamido-3-[2-[4-(2-methylpropyl)phenyl]propanoylsulfanyl]propanoate Openeye Name: hexyl 2-acetamido-3-[2-(4-isobutylphenyl)propanoylsulfanyl]propanoate CAS Name: 2-acetamido-3-[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]thio]propanoic acid hexyl ester IUPAC Name: hexyl 2-acetamido-3-[2-[4-(2-methylpropyl)phenyl]propanoylsulfanyl]propanoate Traditional Name: 2-acetamido-3-[2-(4-isobutylphenyl)propanoylthio]propionic acid hexyl ester Formula: C24H37NO4S MolecularWeight: 435.61988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CSC(=O)C(C)C1=CC=C(C=C1)CC(C)C)NC(=O)C

Isomeric SMILES

CCCCCCOC(=O)C(CSC(=O)C(C)C1=CC=C(C=C1)CC(C)C)NC(=O)C

InChI

InChI=1S/C24H37NO4S/c1-6-7-8-9-14-29-23(27)22(25-19(5)26)16-30-24(28)18(4)21-12-10-20(11-13-21)15-17(2)3/h10-13,17-18,22H,6-9,14-16H2,1-5H3,(H,25,26)