tert-butyl (2R)-4-[(2R)-1-ethoxy-1-oxidanylidene-3-phenyl-propan-2-yl]-2-(2-methylsulfanylethyl)-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl (2R)-4-[(2R)-1-ethoxy-1-oxidanylidene-3-phenyl-propan-2-yl]-2-(2-methylsulfanylethyl)-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl (2R)-4-[(1R)-1-benzyl-2-ethoxy-2-oxo-ethyl]-2-(2-methylsulfanylethyl)-3-oxo-piperazine-1-carboxylate CAS Name: (2R)-4-[(2R)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]-2-[2-(methylthio)ethyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-4-[(2R)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]-2-(2-methylsulfanylethyl)-3-oxopiperazine-1-carboxylate Traditional Name: (2R)-4-[(1R)-1-benzyl-2-ethoxy-2-keto-ethyl]-3-keto-2-[2-(methylthio)ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H34N2O5S MolecularWeight: 450.59146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)N2CCN(C(C2=O)CCSC)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)[C@@H](CC1=CC=CC=C1)N2CCN([C@@H](C2=O)CCSC)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H34N2O5S/c1-6-29-21(27)19(16-17-10-8-7-9-11-17)24-13-14-25(22(28)30-23(2,3)4)18(20(24)26)12-15-31-5/h7-11,18-19H,6,12-16H2,1-5H3/t18-,19-/m1/s1