2,2-dimethylpropanoyloxymethyl 3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoate Openeye Name: 2,2-dimethylpropanoyloxymethyl 3-[(2-benzyl-3-sulfanyl-propanoyl)amino]benzoate CAS Name: 3-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]benzoic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 3-[(2-benzyl-3-sulfanylpropanoyl)amino]benzoate Traditional Name: 3-[(2-benzyl-3-mercapto-propanoyl)amino]benzoic acid pivaloyloxymethyl ester Formula: C23H27NO5S MolecularWeight: 429.52918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)C1=CC(=CC=C1)NC(=O)C(CC2=CC=CC=C2)CS

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)C1=CC(=CC=C1)NC(=O)C(CC2=CC=CC=C2)CS

InChI

InChI=1S/C23H27NO5S/c1-23(2,3)22(27)29-15-28-21(26)17-10-7-11-19(13-17)24-20(25)18(14-30)12-16-8-5-4-6-9-16/h4-11,13,18,30H,12,14-15H2,1-3H3,(H,24,25)