tert-butyl 4-[(2S)-2-(isoquinolin-5-ylsulfonylamino)-3-(4-quinolin-8-ylsulfonyloxyphenyl)propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2S)-2-(isoquinolin-5-ylsulfonylamino)-3-(4-quinolin-8-ylsulfonyloxyphenyl)propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2S)-2-(5-isoquinolylsulfonylamino)-3-[4-(8-quinolylsulfonyloxy)phenyl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-2-(5-isoquinolinylsulfonylamino)-1-oxo-3-[4-(8-quinolinylsulfonyloxy)phenyl]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S)-2-(isoquinolin-5-ylsulfonylamino)-3-(4-quinolin-8-ylsulfonyloxyphenyl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-(5-isoquinolylsulfonylamino)-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=C5C=CN=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=C5C=CN=C6

InChI

InChI=1S/C36H37N5O8S2/c1-36(2,3)48-35(43)41-21-19-40(20-22-41)34(42)30(39-50(44,45)31-10-5-8-27-24-37-18-16-29(27)31)23-25-12-14-28(15-13-25)49-51(46,47)32-11-4-7-26-9-6-17-38-33(26)32/h4-18,24,30,39H,19-23H2,1-3H3/t30-/m0/s1