2-[[4-(4-tert-butylphenyl)-2-ethanoylsulfanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-(4-tert-butylphenyl)-2-ethanoylsulfanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-acetylsulfanyl-4-(4-tert-butylphenyl)-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(acetylthio)-4-(4-tert-butylphenyl)-1,4-dioxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-acetylsulfanyl-4-(4-tert-butylphenyl)-4-oxobutanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(acetylthio)-4-(4-tert-butylphenyl)-4-keto-butanoyl]amino]-3-phenyl-propionic acid Formula: C25H29NO5S MolecularWeight: 455.56646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)C1=CC=C(C=C1)C(C)(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)SC(CC(=O)C1=CC=C(C=C1)C(C)(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C25H29NO5S/c1-16(27)32-22(15-21(28)18-10-12-19(13-11-18)25(2,3)4)23(29)26-20(24(30)31)14-17-8-6-5-7-9-17/h5-13,20,22H,14-15H2,1-4H3,(H,26,29)(H,30,31)