tert-butyl 4-[(2S)-2-(quinolin-8-ylsulfonylamino)-3-(4-quinolin-8-ylsulfonyloxyphenyl)propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2S)-2-(quinolin-8-ylsulfonylamino)-3-(4-quinolin-8-ylsulfonyloxyphenyl)propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2S)-2-(8-quinolylsulfonylamino)-3-[4-(8-quinolylsulfonyloxy)phenyl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-1-oxo-2-(8-quinolinylsulfonylamino)-3-[4-(8-quinolinylsulfonyloxy)phenyl]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S)-2-(quinolin-8-ylsulfonylamino)-3-(4-quinolin-8-ylsulfonyloxyphenyl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-(8-quinolylsulfonylamino)-3-[4-(8-quinolylsulfonyloxy)phenyl]propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C36H37N5O8S2 MolecularWeight: 731.83768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC4=C3N=CC=C4)NS(=O)(=O)C5=CC=CC6=C5N=CC=C6

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)[C@H](CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC4=C3N=CC=C4)NS(=O)(=O)C5=CC=CC6=C5N=CC=C6

InChI

InChI=1S/C36H37N5O8S2/c1-36(2,3)48-35(43)41-22-20-40(21-23-41)34(42)29(39-50(44,45)30-12-4-8-26-10-6-18-37-32(26)30)24-25-14-16-28(17-15-25)49-51(46,47)31-13-5-9-27-11-7-19-38-33(27)31/h4-19,29,39H,20-24H2,1-3H3/t29-/m0/s1